(E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol

C9H9F3N2O — CID 67952574

IUPAC(E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol
SMILESC/C(=C\O)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O/c1-6(5-15)2-7-3-13-8(14-4-7)9(10,11)12/h3-5,15H,2H2,1H3/b6-5+
InChIKeySUJCMOWDORPUJN-AATRIKPKSA-N
MW218.18 g/mol
LogP2.50
Rot. Bonds2

About (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol

(E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol (PubChem CID 67952574) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol
PubChem CID67952574
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name(E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol
SMILESC/C(=C\O)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O/c1-6(5-15)2-7-3-13-8(14-4-7)9(10,11)12/h3-5,15H,2H2,1H3/b6-5+
InChIKeySUJCMOWDORPUJN-AATRIKPKSA-N
XLogP2.50
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.50
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 (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol?
The IUPAC name of (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol (CID 67952574) is (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol.
What is the SMILES notation for (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol?
The canonical SMILES for (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol is C/C(=C\O)Cc1cnc(C(F)(F)F)nc1.
What is the InChIKey of (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol?
The InChIKey is SUJCMOWDORPUJN-AATRIKPKSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-6(5-15)2-7-3-13-8(14-4-7)9(10,11)12/h3-5,15H,2H2,1H3/b6-5+.
What are the key properties of (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol?
(E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol has a molecular weight of 218.18 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol is sourced from PubChem (CID 67952574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).