2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol

C13H16F3NO — CID 81467198

IUPAC2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1CCCN1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-6-2-1-5-10(11)12(18)8-9-4-3-7-17-9/h1-2,5-6,9,12,17-18H,3-4,7-8H2
InChIKeySCZUKTFXKAEIAE-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.88
Rot. Bonds3

About 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol

2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 81467198) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID81467198
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1CCCN1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-6-2-1-5-10(11)12(18)8-9-4-3-7-17-9/h1-2,5-6,9,12,17-18H,3-4,7-8H2
InChIKeySCZUKTFXKAEIAE-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685769
2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685748
2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol
CID 90669195
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1R)-1-(furan-2-yl)-2-[(2S)-pyrrolidin-2-yl]ethanol
CID 95975648
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414
1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466022
1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
CID 79559824
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol (CID 81467198) is 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol is OC(CC1CCCN1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is SCZUKTFXKAEIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-6-2-1-5-10(11)12(18)8-9-4-3-7-17-9/h1-2,5-6,9,12,17-18H,3-4,7-8H2.
What are the key properties of 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol?
2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 81467198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).