1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone

C17H17FO — CID 83988494

IUPAC1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
SMILESCC(C)c1ccc(F)c(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H17FO/c1-12(2)14-8-9-16(18)15(11-14)17(19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKeyJJHFJSQNBPMPJO-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.37
Rot. Bonds4

About 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone

1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone (PubChem CID 83988494) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
PubChem CID83988494
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
SMILESCC(C)c1ccc(F)c(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H17FO/c1-12(2)14-8-9-16(18)15(11-14)17(19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKeyJJHFJSQNBPMPJO-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
CID 59192858
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968326
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82685660
5-[2-(2-carboxyphenyl)-2-oxoethyl]-2-fluorobenzoic acid
CID 153291500
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone?
The IUPAC name of 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone (CID 83988494) is 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone is CC(C)c1ccc(F)c(C(=O)Cc2ccccc2)c1.
What is the InChIKey of 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone?
The InChIKey is JJHFJSQNBPMPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-12(2)14-8-9-16(18)15(11-14)17(19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone?
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone has a molecular weight of 256.32 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone is sourced from PubChem (CID 83988494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).