3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol

C15H22FNO2 — CID 78940988

IUPAC3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
SMILESC[C@H](O)c1c(F)cccc1N1CCCC1CCCO
InChIInChI=1S/C15H22FNO2/c1-11(19)15-13(16)7-2-8-14(15)17-9-3-5-12(17)6-4-10-18/h2,7-8,11-12,18-19H,3-6,9-10H2,1H3/t11-,12?/m0/s1
InChIKeyQYJOEIXVBCIXIT-PXYINDEMSA-N
MW267.34 g/mol
LogP2.62
Rot. Bonds5

About 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 78940988) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID78940988
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
SMILESC[C@H](O)c1c(F)cccc1N1CCCC1CCCO
InChIInChI=1S/C15H22FNO2/c1-11(19)15-13(16)7-2-8-14(15)17-9-3-5-12(17)6-4-10-18/h2,7-8,11-12,18-19H,3-6,9-10H2,1H3/t11-,12?/m0/s1
InChIKeyQYJOEIXVBCIXIT-PXYINDEMSA-N
XLogP2.62
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467401
1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 116635301
(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol
CID 78940819
1-[2-fluoro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469359
1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 60974750
3-[1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076409
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 55184859
(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 104877438
3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467578
3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467233
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 62889981

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol (CID 78940988) is 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol is C[C@H](O)c1c(F)cccc1N1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is QYJOEIXVBCIXIT-PXYINDEMSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(19)15-13(16)7-2-8-14(15)17-9-3-5-12(17)6-4-10-18/h2,7-8,11-12,18-19H,3-6,9-10H2,1H3/t11-,12?/m0/s1.
What are the key properties of 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 78940988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).