4-chloro-2,3-difluorobenzonitrile

C7H2ClF2N — CID 67940983

IUPAC4-chloro-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Cl)c(F)c1F
InChIInChI=1S/C7H2ClF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
InChIKeyRMXBPYPAXHFJKB-UHFFFAOYSA-N
MW173.55 g/mol
LogP2.49
Rot. Bonds

About 4-chloro-2,3-difluorobenzonitrile

4-chloro-2,3-difluorobenzonitrile (PubChem CID 67940983) has the molecular formula C7H2ClF2N and a molecular weight of 173.55 g/mol. Its IUPAC name is 4-chloro-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-chloro-2,3-difluorobenzonitrile
PubChem CID67940983
Molecular FormulaC7H2ClF2N
Molecular Weight173.55 g/mol
Exact Mass172.98
IUPAC Name4-chloro-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Cl)c(F)c1F
InChIInChI=1S/C7H2ClF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
InChIKeyRMXBPYPAXHFJKB-UHFFFAOYSA-N
XLogP2.49
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.55
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-3-fluorobenzonitrile
CID 89499906
6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
CID 131057721
4-(3-bromo-4-chloroanilino)-2,3-difluorobenzonitrile
CID 107933980
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151
4-acetyl-3-chloro-2-fluorobenzonitrile
CID 171005373
4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
CID 107933302
methyl (E)-3-(3-chloro-6-cyano-2-fluorophenyl)prop-2-enoate
CID 140654578
2,3-difluoro-4-methylsulfonylbenzonitrile
CID 117308866
2,3-difluoro-4-propan-2-ylbenzonitrile;propane
CID 156647917
2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile
CID 84769845
4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)benzonitrile
CID 134630053

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-difluorobenzonitrile?
The IUPAC name of 4-chloro-2,3-difluorobenzonitrile (CID 67940983) is 4-chloro-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-chloro-2,3-difluorobenzonitrile?
The canonical SMILES for 4-chloro-2,3-difluorobenzonitrile is N#Cc1ccc(Cl)c(F)c1F.
What is the InChIKey of 4-chloro-2,3-difluorobenzonitrile?
The InChIKey is RMXBPYPAXHFJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H.
What are the key properties of 4-chloro-2,3-difluorobenzonitrile?
4-chloro-2,3-difluorobenzonitrile has a molecular weight of 173.55 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-difluorobenzonitrile is sourced from PubChem (CID 67940983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).