2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol

C13H16F3NO — CID 54775908

IUPAC2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOCC(c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-5-3-10(4-6-11)12(9-18)17-7-1-2-8-17/h3-6,12,18H,1-2,7-9H2
InChIKeyBVUQQTRTHFEGGK-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.83
Rot. Bonds3

About 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol

2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 54775908) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID54775908
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOCC(c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-5-3-10(4-6-11)12(9-18)17-7-1-2-8-17/h3-6,12,18H,1-2,7-9H2
InChIKeyBVUQQTRTHFEGGK-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 16792257
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
2-(3,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 112539245
N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide
CID 59125012
2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860322
N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 154868569
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 54775953
2-(1,4-thiazepan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 61419550

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol (CID 54775908) is 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol is OCC(c1ccc(C(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is BVUQQTRTHFEGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-5-3-10(4-6-11)12(9-18)17-7-1-2-8-17/h3-6,12,18H,1-2,7-9H2.
What are the key properties of 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol?
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 54775908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).