1-chloro-4-(3-fluorophenyl)benzene

C12H8ClF — CID 2757547

IUPAC1-chloro-4-(3-fluorophenyl)benzene
SMILESFc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8ClF/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H
InChIKeyFYHDSEUFZNDKEM-UHFFFAOYSA-N
MW206.65 g/mol
LogP4.15
Rot. Bonds1

About 1-chloro-4-(3-fluorophenyl)benzene

1-chloro-4-(3-fluorophenyl)benzene (PubChem CID 2757547) has the molecular formula C12H8ClF and a molecular weight of 206.65 g/mol. Its IUPAC name is 1-chloro-4-(3-fluorophenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-fluorophenyl)benzene
PubChem CID2757547
Molecular FormulaC12H8ClF
Molecular Weight206.65 g/mol
Exact Mass206.03
IUPAC Name1-chloro-4-(3-fluorophenyl)benzene
SMILESFc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8ClF/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H
InChIKeyFYHDSEUFZNDKEM-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-fluorophenyl)benzene?
The IUPAC name of 1-chloro-4-(3-fluorophenyl)benzene (CID 2757547) is 1-chloro-4-(3-fluorophenyl)benzene.
What is the SMILES notation for 1-chloro-4-(3-fluorophenyl)benzene?
The canonical SMILES for 1-chloro-4-(3-fluorophenyl)benzene is Fc1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-4-(3-fluorophenyl)benzene?
The InChIKey is FYHDSEUFZNDKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H.
What are the key properties of 1-chloro-4-(3-fluorophenyl)benzene?
1-chloro-4-(3-fluorophenyl)benzene has a molecular weight of 206.65 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-fluorophenyl)benzene is sourced from PubChem (CID 2757547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).