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67272-07-5 molecular structure
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2-(difluoromethyl)aniline

ChemBase ID: 291185
Molecular Formular: C7H7F2N
Molecular Mass: 143.1339864
Monoisotopic Mass: 143.05465567
SMILES and InChIs

SMILES:
Nc1ccccc1C(F)F
Canonical SMILES:
FC(c1ccccc1N)F
InChI:
InChI=1S/C7H7F2N/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H,10H2
InChIKey:
VZMLDJWNYZQBHA-UHFFFAOYSA-N

Cite this record

CBID:291185 http://www.chembase.cn/molecule-291185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(difluoromethyl)aniline
IUPAC Traditional name
2-(difluoromethyl)aniline
Synonyms
2-(Difluoromethyl)aniline
CAS Number
67272-07-5
MDL Number
MFCD18791596
PubChem SID
180676716
PubChem CID
66570654

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230872 Please log in.
Data Source Data ID
PubChem 66570654 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5325432  LogD (pH = 7.4) 1.533397 
Log P 1.5334078  Molar Refractivity 35.8424 cm3
Polarizability 12.774481 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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