1-(2-chloro-5-fluorophenyl)-2-phenylethanone

C14H10ClFO — CID 105394173

IUPAC1-(2-chloro-5-fluorophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H10ClFO/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyIYSBJDQHUIDUFF-UHFFFAOYSA-N
MW248.68 g/mol
LogP3.90
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-phenylethanone

1-(2-chloro-5-fluorophenyl)-2-phenylethanone (PubChem CID 105394173) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-phenylethanone
PubChem CID105394173
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H10ClFO/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyIYSBJDQHUIDUFF-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

1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 147059181
2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide
CID 169367720
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-phenylethanone?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-phenylethanone (CID 105394173) is 1-(2-chloro-5-fluorophenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-phenylethanone is O=C(Cc1ccccc1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-phenylethanone?
The InChIKey is IYSBJDQHUIDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-phenylethanone?
1-(2-chloro-5-fluorophenyl)-2-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 1-(2-chloro-5-fluorophenyl)-2-phenylethanone is sourced from PubChem (CID 105394173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).