4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile

C8H3ClF3NO — CID 171003104

IUPAC4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(Cl)c(OC(F)F)c1
InChIInChI=1S/C8H3ClF3NO/c9-7-5(10)1-4(3-13)2-6(7)14-8(11)12/h1-2,8H
InChIKeyDBOGHCRANKREQK-UHFFFAOYSA-N
MW221.57 g/mol
LogP2.95
Rot. Bonds2

About 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile

4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile (PubChem CID 171003104) has the molecular formula C8H3ClF3NO and a molecular weight of 221.57 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile
PubChem CID171003104
Molecular FormulaC8H3ClF3NO
Molecular Weight221.57 g/mol
Exact Mass220.99
IUPAC Name4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(Cl)c(OC(F)F)c1
InChIInChI=1S/C8H3ClF3NO/c9-7-5(10)1-4(3-13)2-6(7)14-8(11)12/h1-2,8H
InChIKeyDBOGHCRANKREQK-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-3,5-difluorobenzonitrile
CID 19612372
3-amino-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171013262
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171002990
2-(chloromethyl)-4-cyano-6-(difluoromethoxy)benzoic acid
CID 134619945
4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
CID 43657318
2-amino-4-cyano-6-(difluoromethoxy)benzoic acid
CID 171022488
3-(difluoromethoxy)-4-(trifluoromethoxy)benzonitrile
CID 121228509
2-chloro-5-cyano-3-fluorobenzenesulfonyl chloride
CID 130882205
4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide
CID 171015067
2-[2-amino-5-cyano-3-(difluoromethoxy)phenyl]acetic acid
CID 171022441
2-amino-4-chloro-6-(difluoromethoxy)benzonitrile
CID 171011900
2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene
CID 119005912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile?
The IUPAC name of 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile (CID 171003104) is 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile?
The canonical SMILES for 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile is N#Cc1cc(F)c(Cl)c(OC(F)F)c1.
What is the InChIKey of 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile?
The InChIKey is DBOGHCRANKREQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NO/c9-7-5(10)1-4(3-13)2-6(7)14-8(11)12/h1-2,8H.
What are the key properties of 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile?
4-chloro-3-(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 4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 171003104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).