5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride

C11H13ClF3NO — CID 91642765

IUPAC5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)9-4-2-1-3-8(9)10-5-7(16)6-15-10;/h1-4,7,10,15-16H,5-6H2;1H
InChIKeyLQYPRFQOROEWLJ-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.52
Rot. Bonds1

About 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride

5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 91642765) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride
PubChem CID91642765
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)9-4-2-1-3-8(9)10-5-7(16)6-15-10;/h1-4,7,10,15-16H,5-6H2;1H
InChIKeyLQYPRFQOROEWLJ-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-[[[2-(trifluoromethyl)phenyl]methyl]amino]-2-propanol
CID 2783073
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
(2S,3S,4S)-2-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 168281304
(2R,3R,4R)-2-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 168286908
1-{[2-(Trifluoromethyl)benzyl]amino}-2-propanol hydrochloride
CID 2966559
(2S,3S,4S)-2-(4-methylphenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168271180
(2R,3R,4R)-2-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 168275384
(2R,3R,4R)-2-(4-fluorophenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168278968
(2R,3R,4R)-2-(4-methylphenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168284577
(2S,3S,4S)-2-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 168290899
1-{[2-(Trifluoromethyl)benzyl]amino}propan-2-ol
CID 2966560
(2-Phenylpyrrolidin-2-yl)methanol
CID 19960230

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride (CID 91642765) is 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is LQYPRFQOROEWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.ClH/c12-11(13,14)9-4-2-1-3-8(9)10-5-7(16)6-15-10;/h1-4,7,10,15-16H,5-6H2;1H.
What are the key properties of 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride?
5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 267.68 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 91642765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).