5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile

C14H6F5N — CID 166780931

IUPAC5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(C(F)(F)c2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C14H6F5N/c15-11-4-10(5-12(16)6-11)14(18,19)9-1-2-13(17)8(3-9)7-20/h1-6H
InChIKeyHMFGLHDNKKGNEX-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.12
Rot. Bonds2

About 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile

5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile (PubChem CID 166780931) has the molecular formula C14H6F5N and a molecular weight of 283.20 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile
PubChem CID166780931
Molecular FormulaC14H6F5N
Molecular Weight283.20 g/mol
Exact Mass283.04
IUPAC Name5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(C(F)(F)c2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C14H6F5N/c15-11-4-10(5-12(16)6-11)14(18,19)9-1-2-13(17)8(3-9)7-20/h1-6H
InChIKeyHMFGLHDNKKGNEX-UHFFFAOYSA-N
XLogP4.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-(2-sulfanylpropan-2-yl)benzonitrile
CID 166671882
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
5-[2-(3,5-difluorophenyl)ethyl]-2-fluorobenzonitrile
CID 68724768
5-(4-chlorophenyl)-2-fluorobenzonitrile
CID 164513732
2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 63269377
2-fluoro-5-(trifluoromethyl)benzonitrile;5-(trifluoromethyl)-1H-indazol-3-amine
CID 158363969
5-[(1S)-1-bromo-2,2,2-trifluoroethyl]-2-fluorobenzonitrile
CID 129391933
2-fluoro-5-hydroxybenzonitrile;hydrochloride
CID 145086137
3-cyano-4-fluorobenzamide
CID 68505906
5-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-fluorobenzonitrile
CID 171210977
bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))
CID 173117282
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 24901883

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile (CID 166780931) is 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile is N#Cc1cc(C(F)(F)c2cc(F)cc(F)c2)ccc1F.
What is the InChIKey of 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile?
The InChIKey is HMFGLHDNKKGNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F5N/c15-11-4-10(5-12(16)6-11)14(18,19)9-1-2-13(17)8(3-9)7-20/h1-6H.
What are the key properties of 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile?
5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile has a molecular weight of 283.20 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)-difluoromethyl]-2-fluorobenzonitrile is sourced from PubChem (CID 166780931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).