(Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol

C14H8F6N2O — CID 138756453

IUPAC(Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol
SMILESO/C(=C\c1cc(C(F)(F)F)nc(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C14H8F6N2O/c15-13(16,17)10-6-9(7-11(23)14(18,19)20)21-12(22-10)8-4-2-1-3-5-8/h1-7,23H/b11-7-
InChIKeyPIYZTAIVGUUIKX-XFFZJAGNSA-N
MW334.22 g/mol
LogP4.62
Rot. Bonds2

About (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol

(Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol (PubChem CID 138756453) has the molecular formula C14H8F6N2O and a molecular weight of 334.22 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol
PubChem CID138756453
Molecular FormulaC14H8F6N2O
Molecular Weight334.22 g/mol
Exact Mass334.05
IUPAC Name(Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol
SMILESO/C(=C\c1cc(C(F)(F)F)nc(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C14H8F6N2O/c15-13(16,17)10-6-9(7-11(23)14(18,19)20)21-12(22-10)8-4-2-1-3-5-8/h1-7,23H/b11-7-
InChIKeyPIYZTAIVGUUIKX-XFFZJAGNSA-N
XLogP4.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol?
The IUPAC name of (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol (CID 138756453) is (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol.
What is the SMILES notation for (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol?
The canonical SMILES for (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol is O/C(=C\c1cc(C(F)(F)F)nc(-c2ccccc2)n1)C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol?
The InChIKey is PIYZTAIVGUUIKX-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H8F6N2O/c15-13(16,17)10-6-9(7-11(23)14(18,19)20)21-12(22-10)8-4-2-1-3-5-8/h1-7,23H/b11-7-.
What are the key properties of (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol?
(Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol has a molecular weight of 334.22 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-1-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol is sourced from PubChem (CID 138756453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).