Home > Compound List > Compound details
355-30-6 molecular structure
click picture or here to close

2,2,3,3,4,4,5,5,5-nonafluoropentane-1,1-diol

ChemBase ID: 100109
Molecular Formular: C5H3F9O2
Molecular Mass: 266.0617488
Monoisotopic Mass: 265.99893332
SMILES and InChIs

SMILES:
OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Canonical SMILES:
OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI:
InChI=1S/C5H3F9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h1,15-16H
InChIKey:
OKBXLDZUHBWJBK-UHFFFAOYSA-N

Cite this record

CBID:100109 http://www.chembase.cn/molecule-100109.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,5,5,5-nonafluoropentane-1,1-diol
IUPAC Traditional name
2,2,3,3,4,4,5,5,5-nonafluoropentane-1,1-diol
Synonyms
2,2,3,3,4,4,5,5,5-Nonafluoropentane-1,1-diol
1H-Perfluoropentane-1,1-diol
CAS Number
355-30-6
MDL Number
MFCD07784233
PubChem SID
162086900
PubChem CID
14924414

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC8268 external link Add to cart Please log in.
Data Source Data ID
PubChem 14924414 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.522251  H Acceptors
H Donor LogD (pH = 5.5) 2.1741822 
LogD (pH = 7.4) 2.1709614  Log P 2.1742234 
Molar Refractivity 28.7453 cm3 Polarizability 11.532404 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle