3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol

C14H18F3NO — CID 62648788

IUPAC3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-5-7-13(8-6-11)18-9-1-3-12(18)4-2-10-19/h5-8,12,19H,1-4,9-10H2
InChIKeyZPSHVODCCMSRHI-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.45
Rot. Bonds4

About 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62648788) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62648788
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-5-7-13(8-6-11)18-9-1-3-12(18)4-2-10-19/h5-8,12,19H,1-4,9-10H2
InChIKeyZPSHVODCCMSRHI-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467233
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde
CID 62468113
1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469358
3-[1-[4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467251
3-[1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467222
3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 64585862
3-[1-[4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 63070356
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122786
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
2-(3-bromopropyl)-1-[2-bromo-4-(trifluoromethyl)phenyl]pyrrolidine
CID 115512327
2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine
CID 107304083

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol (CID 62648788) is 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZPSHVODCCMSRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)11-5-7-13(8-6-11)18-9-1-3-12(18)4-2-10-19/h5-8,12,19H,1-4,9-10H2.
What are the key properties of 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62648788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).