1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol

C8H12F3NO — CID 164654560

IUPAC1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)[C@@H]1CCNC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(8(9,10)11)7(13)6-2-3-12-4-6/h6-7,12-13H,1-4H2/t6-,7?/m1/s1
InChIKeyPFDCVAMBUMEPKJ-ULUSZKPHSA-N
MW195.18 g/mol
LogP1.08
Rot. Bonds2

About 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol

1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 164654560) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID164654560
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)[C@@H]1CCNC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(8(9,10)11)7(13)6-2-3-12-4-6/h6-7,12-13H,1-4H2/t6-,7?/m1/s1
InChIKeyPFDCVAMBUMEPKJ-ULUSZKPHSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol (CID 164654560) is 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)[C@@H]1CCNC1)C(F)(F)F.
What is the InChIKey of 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is PFDCVAMBUMEPKJ-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(8(9,10)11)7(13)6-2-3-12-4-6/h6-7,12-13H,1-4H2/t6-,7?/m1/s1.
What are the key properties of 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol?
1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 195.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 164654560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).