4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol

C16H24FNO — CID 155132828

IUPAC4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol
SMILESCC(C)(CCCO)C1CC[C@@H](c2cccc(F)c2)N1
InChIInChI=1S/C16H24FNO/c1-16(2,9-4-10-19)15-8-7-14(18-15)12-5-3-6-13(17)11-12/h3,5-6,11,14-15,18-19H,4,7-10H2,1-2H3/t14-,15?/m0/s1
InChIKeyFYUWHLNHGMCUKP-MLCCFXAWSA-N
MW265.37 g/mol
LogP3.42
Rot. Bonds5

About 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol

4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol (PubChem CID 155132828) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol
PubChem CID155132828
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol
SMILESCC(C)(CCCO)C1CC[C@@H](c2cccc(F)c2)N1
InChIInChI=1S/C16H24FNO/c1-16(2,9-4-10-19)15-8-7-14(18-15)12-5-3-6-13(17)11-12/h3,5-6,11,14-15,18-19H,4,7-10H2,1-2H3/t14-,15?/m0/s1
InChIKeyFYUWHLNHGMCUKP-MLCCFXAWSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
CID 138487672
2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide
CID 138716656
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 138494273
(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 134199954
[6-(3-fluorophenyl)piperidin-3-yl]methanol
CID 105463010
ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
methyl 6-(3-fluorophenyl)piperidine-2-carboxylate
CID 117168179
methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
tert-butyl (2R,3R)-3-(3-fluorophenyl)aziridine-2-carboxylate
CID 86767337
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol?
The IUPAC name of 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol (CID 155132828) is 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol.
What is the SMILES notation for 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol?
The canonical SMILES for 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol is CC(C)(CCCO)C1CC[C@@H](c2cccc(F)c2)N1.
What is the InChIKey of 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol?
The InChIKey is FYUWHLNHGMCUKP-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(2,9-4-10-19)15-8-7-14(18-15)12-5-3-6-13(17)11-12/h3,5-6,11,14-15,18-19H,4,7-10H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol?
4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol is sourced from PubChem (CID 155132828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).