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

C8H14F3NO — CID 174164356

IUPAC(1S)-1-[(2S)-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-/m0/s1
InChIKeyYJOGUULAYOHQKO-BQBZGAKWSA-N
MW197.20 g/mol
LogP1.39
Rot. Bonds2

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

(1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol (PubChem CID 174164356) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol
PubChem CID174164356
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(1S)-1-[(2S)-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-/m0/s1
InChIKeyYJOGUULAYOHQKO-BQBZGAKWSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol (CID 174164356) is (1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-[(2S)-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 (1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is YJOGUULAYOHQKO-BQBZGAKWSA-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-/m0/s1.
What are the key properties of (1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol?
(1S)-1-[(2S)-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 (1S)-1-[(2S)-1-ethylpyrrolidin-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 174164356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).