1-chloro-4-(difluoromethyl)benzene

C7H5ClF2 — CID 640451

IUPAC1-chloro-4-(difluoromethyl)benzene
SMILESFC(F)c1ccc(Cl)cc1
InChIInChI=1S/C7H5ClF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H
InChIKeyUNSMMYPOWHMIRS-UHFFFAOYSA-N
MW162.57 g/mol
LogP3.28
Rot. Bonds1

About 1-chloro-4-(difluoromethyl)benzene

1-chloro-4-(difluoromethyl)benzene (PubChem CID 640451) has the molecular formula C7H5ClF2 and a molecular weight of 162.57 g/mol. Its IUPAC name is 1-chloro-4-(difluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(difluoromethyl)benzene
PubChem CID640451
Molecular FormulaC7H5ClF2
Molecular Weight162.57 g/mol
Exact Mass162.00
IUPAC Name1-chloro-4-(difluoromethyl)benzene
SMILESFC(F)c1ccc(Cl)cc1
InChIInChI=1S/C7H5ClF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H
InChIKeyUNSMMYPOWHMIRS-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(difluoromethyl)benzene?
The IUPAC name of 1-chloro-4-(difluoromethyl)benzene (CID 640451) is 1-chloro-4-(difluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-(difluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-(difluoromethyl)benzene is FC(F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(difluoromethyl)benzene?
The InChIKey is UNSMMYPOWHMIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H.
What are the key properties of 1-chloro-4-(difluoromethyl)benzene?
1-chloro-4-(difluoromethyl)benzene has a molecular weight of 162.57 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(difluoromethyl)benzene is sourced from PubChem (CID 640451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).