5-chloro-1,3-difluoro-2-(fluoromethyl)benzene

C7H4ClF3 — CID 130776716

IUPAC5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
SMILESFCc1c(F)cc(Cl)cc1F
InChIInChI=1S/C7H4ClF3/c8-4-1-6(10)5(3-9)7(11)2-4/h1-2H,3H2
InChIKeyLRYOWDCGVQZIRD-UHFFFAOYSA-N
MW180.56 g/mol
LogP3.09
Rot. Bonds1

About 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene

5-chloro-1,3-difluoro-2-(fluoromethyl)benzene (PubChem CID 130776716) has the molecular formula C7H4ClF3 and a molecular weight of 180.56 g/mol. Its IUPAC name is 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene.

Molecular Properties

Compound Name5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
PubChem CID130776716
Molecular FormulaC7H4ClF3
Molecular Weight180.56 g/mol
Exact Mass180.00
IUPAC Name5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
SMILESFCc1c(F)cc(Cl)cc1F
InChIInChI=1S/C7H4ClF3/c8-4-1-6(10)5(3-9)7(11)2-4/h1-2H,3H2
InChIKeyLRYOWDCGVQZIRD-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,4-dichloro-6-fluorophenyl)methanol
CID 118642652
1-(4-chloro-2,6-difluorophenyl)butan-2-amine
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(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171230517
1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
CID 131587303
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
CID 118830415
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
CID 130969013
4-chloro-2,6-difluorobenzamide
CID 22478130
2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407
4-(4-chloro-2,6-difluorophenyl)butanoic acid
CID 117341296
N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
CID 84804789
[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine
CID 123483002
(4-chloro-2,6-difluorophenyl)hydrazine;hydrochloride
CID 75480868

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene?
The IUPAC name of 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene (CID 130776716) is 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene.
What is the SMILES notation for 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene?
The canonical SMILES for 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene is FCc1c(F)cc(Cl)cc1F.
What is the InChIKey of 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene?
The InChIKey is LRYOWDCGVQZIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3/c8-4-1-6(10)5(3-9)7(11)2-4/h1-2H,3H2.
What are the key properties of 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene?
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene has a molecular weight of 180.56 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-difluoro-2-(fluoromethyl)benzene is sourced from PubChem (CID 130776716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).