2-(difluoromethoxy)-4-fluorobenzonitrile

C8H4F3NO — CID 59295388

IUPAC2-(difluoromethoxy)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1OC(F)F
InChIInChI=1S/C8H4F3NO/c9-6-2-1-5(4-12)7(3-6)13-8(10)11/h1-3,8H
InChIKeyNHULGJLESSCSTP-UHFFFAOYSA-N
MW187.12 g/mol
LogP2.30
Rot. Bonds2

About 2-(difluoromethoxy)-4-fluorobenzonitrile

2-(difluoromethoxy)-4-fluorobenzonitrile (PubChem CID 59295388) has the molecular formula C8H4F3NO and a molecular weight of 187.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-fluorobenzonitrile
PubChem CID59295388
Molecular FormulaC8H4F3NO
Molecular Weight187.12 g/mol
Exact Mass187.02
IUPAC Name2-(difluoromethoxy)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1OC(F)F
InChIInChI=1S/C8H4F3NO/c9-6-2-1-5(4-12)7(3-6)13-8(10)11/h1-3,8H
InChIKeyNHULGJLESSCSTP-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-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile
CID 175686576
2-(difluoromethoxy)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 175686575
4-butyl-2-(difluoromethoxy)benzonitrile
CID 162613149
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171002990
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
2-[2-(difluoromethoxy)-5-fluorophenyl]acetonitrile
CID 118808935
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
2-bromo-3-(difluoromethoxy)benzonitrile
CID 118996349
2-(difluoromethoxy)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 175686558
3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile
CID 118848555

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-fluorobenzonitrile?
The IUPAC name of 2-(difluoromethoxy)-4-fluorobenzonitrile (CID 59295388) is 2-(difluoromethoxy)-4-fluorobenzonitrile.
What is the SMILES notation for 2-(difluoromethoxy)-4-fluorobenzonitrile?
The canonical SMILES for 2-(difluoromethoxy)-4-fluorobenzonitrile is N#Cc1ccc(F)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-fluorobenzonitrile?
The InChIKey is NHULGJLESSCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO/c9-6-2-1-5(4-12)7(3-6)13-8(10)11/h1-3,8H.
What are the key properties of 2-(difluoromethoxy)-4-fluorobenzonitrile?
2-(difluoromethoxy)-4-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)-4-fluorobenzonitrile is sourced from PubChem (CID 59295388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).