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1202171-77-4 molecular structure
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(1S,2S)-2-fluorocyclohexan-1-amine

ChemBase ID: 799492
Molecular Formular: C6H12FN
Molecular Mass: 117.1645832
Monoisotopic Mass: 117.09537761
SMILES and InChIs

SMILES:
[C@H]1([C@H](CCCC1)F)N
Canonical SMILES:
N[C@H]1CCCC[C@@H]1F
InChI:
InChI=1S/C6H12FN/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,8H2/t5-,6-/m0/s1
InChIKey:
ZFZUTWAYBJFSIL-WDSKDSINSA-N

Cite this record

CBID:799492 http://www.chembase.cn/molecule-799492.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2S)-2-fluorocyclohexan-1-amine
IUPAC Traditional name
(1S,2S)-2-fluorocyclohexan-1-amine
Synonyms
(1S,2S)-2-fluorocyclohexanamine
CAS Number
1202171-77-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14099 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14099 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9612436  LogD (pH = 7.4) -0.8067224 
Log P 0.98999983  Molar Refractivity 30.6024 cm3
Polarizability 12.273579 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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