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

C9H6F6N2O — CID 138756342

IUPAC(Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol
SMILESCc1nc(/C=C(\O)C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C9H6F6N2O/c1-4-16-5(3-7(18)9(13,14)15)2-6(17-4)8(10,11)12/h2-3,18H,1H3/b7-3-
InChIKeyUPYICUSIKYOWHP-CLTKARDFSA-N
MW272.15 g/mol
LogP3.27
Rot. Bonds1

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

(Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol (PubChem CID 138756342) has the molecular formula C9H6F6N2O and a molecular weight of 272.15 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol
PubChem CID138756342
Molecular FormulaC9H6F6N2O
Molecular Weight272.15 g/mol
Exact Mass272.04
IUPAC Name(Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol
SMILESCc1nc(/C=C(\O)C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C9H6F6N2O/c1-4-16-5(3-7(18)9(13,14)15)2-6(17-4)8(10,11)12/h2-3,18H,1H3/b7-3-
InChIKeyUPYICUSIKYOWHP-CLTKARDFSA-N
XLogP3.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 53.27
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-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol?
The IUPAC name of (Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol (CID 138756342) is (Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol.
What is the SMILES notation for (Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol?
The canonical SMILES for (Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol is Cc1nc(/C=C(\O)C(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of (Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol?
The InChIKey is UPYICUSIKYOWHP-CLTKARDFSA-N. The full InChI is InChI=1S/C9H6F6N2O/c1-4-16-5(3-7(18)9(13,14)15)2-6(17-4)8(10,11)12/h2-3,18H,1H3/b7-3-.
What are the key properties of (Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol?
(Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol has a molecular weight of 272.15 g/mol, XLogP of 3.27, 1 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-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol is sourced from PubChem (CID 138756342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).