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

C14H18F3NO — CID 117243860

IUPAC3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESOCC(CN1CCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-6-2-1-5-12(13)11(10-19)9-18-7-3-4-8-18/h1-2,5-6,11,19H,3-4,7-10H2
InChIKeyKJRQBFWQTPHXFM-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.88
Rot. Bonds4

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

3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 117243860) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID117243860
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESOCC(CN1CCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-6-2-1-5-12(13)11(10-19)9-18-7-3-4-8-18/h1-2,5-6,11,19H,3-4,7-10H2
InChIKeyKJRQBFWQTPHXFM-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol
CID 117243867
2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol
CID 117243887
2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
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3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 117243889
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
3-aminooxy-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105495712
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 52532585
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
(1R)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94866467
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 117244247

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 117243860) is 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol is OCC(CN1CCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is KJRQBFWQTPHXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)13-6-2-1-5-12(13)11(10-19)9-18-7-3-4-8-18/h1-2,5-6,11,19H,3-4,7-10H2.
What are the key properties of 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117243860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).