1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol

C7H8F3N3O — CID 130565150

IUPAC1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)c1cn(C)nn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4(7(8,9)10)6(14)5-3-13(2)12-11-5/h3,6,14H,1H2,2H3
InChIKeyVVKMFNJVNQCYMP-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.97
Rot. Bonds2

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

1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 130565150) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID130565150
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)c1cn(C)nn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4(7(8,9)10)6(14)5-3-13(2)12-11-5/h3,6,14H,1H2,2H3
InChIKeyVVKMFNJVNQCYMP-UHFFFAOYSA-N
XLogP0.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol (CID 130565150) is 1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)c1cn(C)nn1)C(F)(F)F.
What is the InChIKey of 1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is VVKMFNJVNQCYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4(7(8,9)10)6(14)5-3-13(2)12-11-5/h3,6,14H,1H2,2H3.
What are the key properties of 1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 207.16 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 130565150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).