2-(3-chloro-4-fluorophenyl)-1-phenylethanone

C14H10ClFO — CID 67471302

IUPAC2-(3-chloro-4-fluorophenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H10ClFO/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyJQWUQWJWOMFODO-UHFFFAOYSA-N
MW248.68 g/mol
LogP3.90
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-phenylethanone

2-(3-chloro-4-fluorophenyl)-1-phenylethanone (PubChem CID 67471302) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-phenylethanone
PubChem CID67471302
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H10ClFO/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyJQWUQWJWOMFODO-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 103042833
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
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2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
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2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
1-(1-benzofuran-3-yl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103039484
1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropane-1,3-dione
CID 60928883
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-phenylethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-phenylethanone (CID 67471302) is 2-(3-chloro-4-fluorophenyl)-1-phenylethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-phenylethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-phenylethanone is O=C(Cc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-phenylethanone?
The InChIKey is JQWUQWJWOMFODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-phenylethanone?
2-(3-chloro-4-fluorophenyl)-1-phenylethanone has a molecular weight of 248.68 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-phenylethanone is sourced from PubChem (CID 67471302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).