1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one

C17H23FO2 — CID 177221992

IUPAC1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one
SMILESCC(=O)c1ccc(F)cc1.CCC(=O)[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C9H16O.C8H7FO/c1-3-9(10)8-5-4-7(2)6-8;1-6(10)7-2-4-8(9)5-3-7/h7-8H,3-6H2,1-2H3;2-5H,1H3/t7-,8+;/m0./s1
InChIKeyGGJVJIHALUCRHN-KZYPOYLOSA-N
MW278.37 g/mol
LogP4.43
Rot. Bonds3

About 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one

1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one (PubChem CID 177221992) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one
PubChem CID177221992
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one
SMILESCC(=O)c1ccc(F)cc1.CCC(=O)[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C9H16O.C8H7FO/c1-3-9(10)8-5-4-7(2)6-8;1-6(10)7-2-4-8(9)5-3-7/h7-8H,3-6H2,1-2H3;2-5H,1H3/t7-,8+;/m0./s1
InChIKeyGGJVJIHALUCRHN-KZYPOYLOSA-N
XLogP4.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one (CID 177221992) is 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one is CC(=O)c1ccc(F)cc1.CCC(=O)[C@@H]1CC[C@H](C)C1.
What is the InChIKey of 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one?
The InChIKey is GGJVJIHALUCRHN-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H16O.C8H7FO/c1-3-9(10)8-5-4-7(2)6-8;1-6(10)7-2-4-8(9)5-3-7/h7-8H,3-6H2,1-2H3;2-5H,1H3/t7-,8+;/m0./s1.
What are the key properties of 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one?
1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one has a molecular weight of 278.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one is sourced from PubChem (CID 177221992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).