1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol

C8H12F3NO — CID 164654131

IUPAC1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)[C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(8(9,10)11)7(13)6-3-2-4-12-6/h6-7,12-13H,1-4H2/t6-,7?/m0/s1
InChIKeyHARSRNRTGGIZBP-PKPIPKONSA-N
MW195.18 g/mol
LogP1.22
Rot. Bonds2

About 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol

1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 164654131) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID164654131
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)[C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(8(9,10)11)7(13)6-3-2-4-12-6/h6-7,12-13H,1-4H2/t6-,7?/m0/s1
InChIKeyHARSRNRTGGIZBP-PKPIPKONSA-N
XLogP1.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
CID 138712862
(R)-cyclopentyl-[(2S)-pyrrolidin-2-yl]methanol
CID 138485478
(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 164661994
tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
CID 86330307
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174
1-pyrrolidin-2-ylbut-3-en-1-ol
CID 72814698
(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 155010567
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
[2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate
CID 54311194
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol (CID 164654131) is 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)[C@@H]1CCCN1)C(F)(F)F.
What is the InChIKey of 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is HARSRNRTGGIZBP-PKPIPKONSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(8(9,10)11)7(13)6-3-2-4-12-6/h6-7,12-13H,1-4H2/t6-,7?/m0/s1.
What are the key properties of 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol?
1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 195.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 164654131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).