2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile

C8H3ClF3NO — CID 171002990

IUPAC2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(OC(F)F)cc1Cl
InChIInChI=1S/C8H3ClF3NO/c9-5-2-7(14-8(11)12)6(10)1-4(5)3-13/h1-2,8H
InChIKeyZXMVEOLXDULUAO-UHFFFAOYSA-N
MW221.57 g/mol
LogP2.95
Rot. Bonds2

About 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile

2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile (PubChem CID 171002990) has the molecular formula C8H3ClF3NO and a molecular weight of 221.57 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
PubChem CID171002990
Molecular FormulaC8H3ClF3NO
Molecular Weight221.57 g/mol
Exact Mass220.99
IUPAC Name2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(OC(F)F)cc1Cl
InChIInChI=1S/C8H3ClF3NO/c9-5-2-7(14-8(11)12)6(10)1-4(5)3-13/h1-2,8H
InChIKeyZXMVEOLXDULUAO-UHFFFAOYSA-N
XLogP2.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.57
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 118827927
[2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate
CID 175154367
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
methyl 2-cyano-5-(difluoromethoxy)-4-fluorobenzoate
CID 134646530
4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile
CID 171003104
4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
CID 131498740
2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile
CID 175686576
6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indole-3-carbonitrile
CID 141298751
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
2,4-dichloro-3-(difluoromethoxy)benzonitrile
CID 119009629
2-amino-4-chloro-6-(difluoromethoxy)benzonitrile
CID 171011900
1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile?
The IUPAC name of 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile (CID 171002990) is 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile?
The canonical SMILES for 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile is N#Cc1cc(F)c(OC(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile?
The InChIKey is ZXMVEOLXDULUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NO/c9-5-2-7(14-8(11)12)6(10)1-4(5)3-13/h1-2,8H.
What are the key properties of 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile?
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile has a molecular weight of 221.57 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 171002990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).