1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one

C17H22FNO2 — CID 151959248

IUPAC1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one
SMILESCC1CN(c2cc(F)ccc2OC2CCCCC2)CC1=O
InChIInChI=1S/C17H22FNO2/c1-12-10-19(11-16(12)20)15-9-13(18)7-8-17(15)21-14-5-3-2-4-6-14/h7-9,12,14H,2-6,10-11H2,1H3
InChIKeyTYHKDHZAXOYLBI-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one

1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one (PubChem CID 151959248) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one
PubChem CID151959248
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one
SMILESCC1CN(c2cc(F)ccc2OC2CCCCC2)CC1=O
InChIInChI=1S/C17H22FNO2/c1-12-10-19(11-16(12)20)15-9-13(18)7-8-17(15)21-14-5-3-2-4-6-14/h7-9,12,14H,2-6,10-11H2,1H3
InChIKeyTYHKDHZAXOYLBI-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one
CID 91190502
2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11684301
(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide
CID 63705372
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-diol
CID 90924333
dimethyl 3-(2-cyclohexyloxy-5-fluorophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633894
1-(5-amino-2-phenoxyphenyl)-4-methylpyrrolidin-3-one
CID 150740264
1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
CID 63936921
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
1-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-3-(1,3-dihydroxy-4,7-dihydroisoindol-2-yl)propan-2-one
CID 91251750
2-azido-1-cyclohexyloxy-4-fluorobenzene
CID 151647198

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one?
The IUPAC name of 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one (CID 151959248) is 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one.
What is the SMILES notation for 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one?
The canonical SMILES for 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one is CC1CN(c2cc(F)ccc2OC2CCCCC2)CC1=O.
What is the InChIKey of 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one?
The InChIKey is TYHKDHZAXOYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-12-10-19(11-16(12)20)15-9-13(18)7-8-17(15)21-14-5-3-2-4-6-14/h7-9,12,14H,2-6,10-11H2,1H3.
What are the key properties of 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one?
1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one has a molecular weight of 291.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one is sourced from PubChem (CID 151959248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).