1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol

C9H14F3NO — CID 164650127

IUPAC1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1CNCC1C)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-5-3-13-4-7(5)8(14)6(2)9(10,11)12/h5,7-8,13-14H,2-4H2,1H3
InChIKeyANXPNWJZQVZROS-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.32
Rot. Bonds2

About 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol

1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 164650127) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID164650127
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1CNCC1C)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-5-3-13-4-7(5)8(14)6(2)9(10,11)12/h5,7-8,13-14H,2-4H2,1H3
InChIKeyANXPNWJZQVZROS-UHFFFAOYSA-N
XLogP1.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.32
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-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol (CID 164650127) is 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)C1CNCC1C)C(F)(F)F.
What is the InChIKey of 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is ANXPNWJZQVZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-5-3-13-4-7(5)8(14)6(2)9(10,11)12/h5,7-8,13-14H,2-4H2,1H3.
What are the key properties of 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 209.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 164650127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).