(1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol

C8H14F3NO — CID 174164357

IUPAC(1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol
SMILESCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-12-5-3-4-6(12)7(13)8(9,10)11/h6-7,13H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyYJOGUULAYOHQKO-RNFRBKRXSA-N
MW197.20 g/mol
LogP1.39
Rot. Bonds2

About (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol

(1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol (PubChem CID 174164357) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol
PubChem CID174164357
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol
SMILESCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-12-5-3-4-6(12)7(13)8(9,10)11/h6-7,13H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyYJOGUULAYOHQKO-RNFRBKRXSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-methylpyrrolidin-2-yl]ethan-1-ol
CID 45087390
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
(1S)-1-[(2S)-1-Methylpyrrolidin-2-yl]ethanol
CID 92979732
[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 121597861
[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 10954178
N-methylpyrrolidinylpropanol
CID 20609780
2,2,2-Trifluoro-1-(1-prop-2-ynylpyrrolidin-2-yl)ethanol
CID 86768430
5-(Hydroxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3,3-diol
CID 57150143
[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 60002546
((2S,4R)-4-Fluoro-1-methylpyrrolidin-2-yl)methanol
CID 60002592
[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 60002610
[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]methanol
CID 62013740

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol (CID 174164357) is (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol is CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F.
What is the InChIKey of (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is YJOGUULAYOHQKO-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-12-5-3-4-6(12)7(13)8(9,10)11/h6-7,13H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol?
(1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 197.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 174164357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).