4-chloro-2-fluoro-1-phenylbenzene

C12H8ClF — CID 18364130

IUPAC4-chloro-2-fluoro-1-phenylbenzene
SMILESFc1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C12H8ClF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyPSNGWQFGVRISIB-UHFFFAOYSA-N
MW206.65 g/mol
LogP4.15
Rot. Bonds1

About 4-chloro-2-fluoro-1-phenylbenzene

4-chloro-2-fluoro-1-phenylbenzene (PubChem CID 18364130) has the molecular formula C12H8ClF and a molecular weight of 206.65 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-phenylbenzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-phenylbenzene
PubChem CID18364130
Molecular FormulaC12H8ClF
Molecular Weight206.65 g/mol
Exact Mass206.03
IUPAC Name4-chloro-2-fluoro-1-phenylbenzene
SMILESFc1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C12H8ClF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyPSNGWQFGVRISIB-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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Related Compounds

4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
4-(3-chlorophenyl)-3-fluorophenol
CID 53219360
CID 6375292
CID 6375292
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61354585
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol
CID 162532817
1-fluoro-4-phenylnaphthalene
CID 46314926
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
4-(4-chloro-2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-phenylbenzene?
The IUPAC name of 4-chloro-2-fluoro-1-phenylbenzene (CID 18364130) is 4-chloro-2-fluoro-1-phenylbenzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-phenylbenzene?
The canonical SMILES for 4-chloro-2-fluoro-1-phenylbenzene is Fc1cc(Cl)ccc1-c1ccccc1.
What is the InChIKey of 4-chloro-2-fluoro-1-phenylbenzene?
The InChIKey is PSNGWQFGVRISIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-chloro-2-fluoro-1-phenylbenzene?
4-chloro-2-fluoro-1-phenylbenzene 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 4-chloro-2-fluoro-1-phenylbenzene is sourced from PubChem (CID 18364130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).