1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone

C14H10ClFO — CID 82541260

IUPAC1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C14H10ClFO/c1-9(17)11-4-7-14(15)13(8-11)10-2-5-12(16)6-3-10/h2-8H,1H3
InChIKeyPBABLMGMOWHQJH-UHFFFAOYSA-N
MW248.68 g/mol
LogP4.35
Rot. Bonds2

About 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone

1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone (PubChem CID 82541260) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
PubChem CID82541260
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C14H10ClFO/c1-9(17)11-4-7-14(15)13(8-11)10-2-5-12(16)6-3-10/h2-8H,1H3
InChIKeyPBABLMGMOWHQJH-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651113
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
1-[4-chloro-3-[4-[hydroxy(methylamino)methyl]phenyl]phenyl]ethanone
CID 82540238
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone
CID 118330416
1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone
CID 110447559
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
CID 157412429
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone
CID 141482327
1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone
CID 53221285

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone?
The IUPAC name of 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone (CID 82541260) is 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone is CC(=O)c1ccc(Cl)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone?
The InChIKey is PBABLMGMOWHQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c1-9(17)11-4-7-14(15)13(8-11)10-2-5-12(16)6-3-10/h2-8H,1H3.
What are the key properties of 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone?
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone has a molecular weight of 248.68 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone is sourced from PubChem (CID 82541260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).