1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone

C17H16ClFO — CID 114968326

IUPAC1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2cccc(F)c2Cl)cc1
InChIInChI=1S/C17H16ClFO/c1-11(2)13-8-6-12(7-9-13)10-16(20)14-4-3-5-15(19)17(14)18/h3-9,11H,10H2,1-2H3
InChIKeyDZHWAEUAEOLELW-UHFFFAOYSA-N
MW290.76 g/mol
LogP5.03
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone

1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 114968326) has the molecular formula C17H16ClFO and a molecular weight of 290.76 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID114968326
Molecular FormulaC17H16ClFO
Molecular Weight290.76 g/mol
Exact Mass290.09
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2cccc(F)c2Cl)cc1
InChIInChI=1S/C17H16ClFO/c1-11(2)13-8-6-12(7-9-13)10-16(20)14-4-3-5-15(19)17(14)18/h3-9,11H,10H2,1-2H3
InChIKeyDZHWAEUAEOLELW-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.76
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968423
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
CID 83988494
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812505
1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82685660
(2-chloro-3-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 81454343
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
1-(2-chloro-3-fluorophenyl)-2-ethylbutan-1-one
CID 115785522

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone (CID 114968326) is 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)c2cccc(F)c2Cl)cc1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is DZHWAEUAEOLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-11(2)13-8-6-12(7-9-13)10-16(20)14-4-3-5-15(19)17(14)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 290.76 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 114968326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).