2-(difluoromethoxy)-6-fluorobenzonitrile

C8H4F3NO — CID 23448361

IUPAC2-(difluoromethoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OC(F)F
InChIInChI=1S/C8H4F3NO/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-3,8H
InChIKeyAHBZEVXFBMJSNR-UHFFFAOYSA-N
MW187.12 g/mol
LogP2.30
Rot. Bonds2

About 2-(difluoromethoxy)-6-fluorobenzonitrile

2-(difluoromethoxy)-6-fluorobenzonitrile (PubChem CID 23448361) has the molecular formula C8H4F3NO and a molecular weight of 187.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-fluorobenzonitrile
PubChem CID23448361
Molecular FormulaC8H4F3NO
Molecular Weight187.12 g/mol
Exact Mass187.02
IUPAC Name2-(difluoromethoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OC(F)F
InChIInChI=1S/C8H4F3NO/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-3,8H
InChIKeyAHBZEVXFBMJSNR-UHFFFAOYSA-N
XLogP2.30
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(4-methylpentan-2-yloxy)benzonitrile
CID 79512851
6-(difluoromethoxy)-3-fluoro-2-methylbenzonitrile
CID 171031844
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
2-(difluoromethoxy)-6-[methyl(sulfanyl)amino]benzonitrile
CID 151235393
chloro-[2-cyano-3-(difluoromethoxy)phenyl]-hydroxysulfanium
CID 143858481
2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62032368
(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
CID 93219334
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile
CID 117096352
2-(difluoromethoxy)-6-(2-oxopropyl)benzonitrile
CID 118808954
2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile
CID 117096359
4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide
CID 170473611

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-fluorobenzonitrile?
The IUPAC name of 2-(difluoromethoxy)-6-fluorobenzonitrile (CID 23448361) is 2-(difluoromethoxy)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(difluoromethoxy)-6-fluorobenzonitrile?
The canonical SMILES for 2-(difluoromethoxy)-6-fluorobenzonitrile is N#Cc1c(F)cccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-6-fluorobenzonitrile?
The InChIKey is AHBZEVXFBMJSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-3,8H.
What are the key properties of 2-(difluoromethoxy)-6-fluorobenzonitrile?
2-(difluoromethoxy)-6-fluorobenzonitrile has a molecular weight of 187.12 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-fluorobenzonitrile is sourced from PubChem (CID 23448361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).