1-chloro-4-(fluoromethyl)benzene

C7H6ClF — CID 637529

IUPAC1-chloro-4-(fluoromethyl)benzene
SMILESFCc1ccc(Cl)cc1
InChIInChI=1S/C7H6ClF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
InChIKeyXAWFFDQTYJUPQT-UHFFFAOYSA-N
MW144.58 g/mol
LogP2.81
Rot. Bonds1

About 1-chloro-4-(fluoromethyl)benzene

1-chloro-4-(fluoromethyl)benzene (PubChem CID 637529) has the molecular formula C7H6ClF and a molecular weight of 144.58 g/mol. Its IUPAC name is 1-chloro-4-(fluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(fluoromethyl)benzene
PubChem CID637529
Molecular FormulaC7H6ClF
Molecular Weight144.58 g/mol
Exact Mass144.01
IUPAC Name1-chloro-4-(fluoromethyl)benzene
SMILESFCc1ccc(Cl)cc1
InChIInChI=1S/C7H6ClF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
InChIKeyXAWFFDQTYJUPQT-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.58
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(fluoromethyl)benzene?
The IUPAC name of 1-chloro-4-(fluoromethyl)benzene (CID 637529) is 1-chloro-4-(fluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-(fluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-(fluoromethyl)benzene is FCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(fluoromethyl)benzene?
The InChIKey is XAWFFDQTYJUPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2.
What are the key properties of 1-chloro-4-(fluoromethyl)benzene?
1-chloro-4-(fluoromethyl)benzene has a molecular weight of 144.58 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(fluoromethyl)benzene is sourced from PubChem (CID 637529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).