1-chloro-2,4-difluoro-5-(fluoromethyl)benzene

C7H4ClF3 — CID 118802249

IUPAC1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
SMILESFCc1cc(Cl)c(F)cc1F
InChIInChI=1S/C7H4ClF3/c8-5-1-4(3-9)6(10)2-7(5)11/h1-2H,3H2
InChIKeyJQOABRLVTFZPCK-UHFFFAOYSA-N
MW180.56 g/mol
LogP3.09
Rot. Bonds1

About 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene

1-chloro-2,4-difluoro-5-(fluoromethyl)benzene (PubChem CID 118802249) has the molecular formula C7H4ClF3 and a molecular weight of 180.56 g/mol. Its IUPAC name is 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
PubChem CID118802249
Molecular FormulaC7H4ClF3
Molecular Weight180.56 g/mol
Exact Mass180.00
IUPAC Name1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
SMILESFCc1cc(Cl)c(F)cc1F
InChIInChI=1S/C7H4ClF3/c8-5-1-4(3-9)6(10)2-7(5)11/h1-2H,3H2
InChIKeyJQOABRLVTFZPCK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 163922038
1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene
CID 118836013
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
3-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 84778847
2-(4-chloro-2,5-difluorophenyl)acetaldehyde
CID 88923166
2-(2,5-dichloro-4-fluorophenyl)acetonitrile
CID 84777673
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
(2,4-dichloro-5-fluorophenyl)methanol
CID 2774017

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene?
The IUPAC name of 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene (CID 118802249) is 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene?
The canonical SMILES for 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene is FCc1cc(Cl)c(F)cc1F.
What is the InChIKey of 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene?
The InChIKey is JQOABRLVTFZPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3/c8-5-1-4(3-9)6(10)2-7(5)11/h1-2H,3H2.
What are the key properties of 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene?
1-chloro-2,4-difluoro-5-(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 1-chloro-2,4-difluoro-5-(fluoromethyl)benzene is sourced from PubChem (CID 118802249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).