2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone

C17H15FO — CID 159213870

IUPAC2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
SMILESO=C(Cc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H15FO/c18-14-8-6-12(7-9-14)10-17(19)16-11-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2/t15-,16+/m1/s1
InChIKeyKQVFFQUKOUSDFH-CVEARBPZSA-N
MW254.30 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone

2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone (PubChem CID 159213870) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
PubChem CID159213870
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
SMILESO=C(Cc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H15FO/c18-14-8-6-12(7-9-14)10-17(19)16-11-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2/t15-,16+/m1/s1
InChIKeyKQVFFQUKOUSDFH-CVEARBPZSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone
CID 114974399
2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 158498158
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110629306
2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572487
3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052
trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
CID 124735793
3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanenitrile
CID 86694682
trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
CID 97061376
3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone (CID 159213870) is 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone is O=C(Cc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone?
The InChIKey is KQVFFQUKOUSDFH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H15FO/c18-14-8-6-12(7-9-14)10-17(19)16-11-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2/t15-,16+/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone?
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone has a molecular weight of 254.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone is sourced from PubChem (CID 159213870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).