[4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol

C10H16F3N3O2 — CID 103213647

IUPAC[4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1COCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-7(2)3-16-8(4-17)14-15-9(16)5-18-6-10(11,12)13/h7,17H,3-6H2,1-2H3
InChIKeyVWRJYDZHXYZFCZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.51
Rot. Bonds6

About [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol

[4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103213647) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103213647
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name[4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1COCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-7(2)3-16-8(4-17)14-15-9(16)5-18-6-10(11,12)13/h7,17H,3-6H2,1-2H3
InChIKeyVWRJYDZHXYZFCZ-UHFFFAOYSA-N
XLogP1.51
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol (CID 103213647) is [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol is CC(C)Cn1c(CO)nnc1COCC(F)(F)F.
What is the InChIKey of [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is VWRJYDZHXYZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-7(2)3-16-8(4-17)14-15-9(16)5-18-6-10(11,12)13/h7,17H,3-6H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
[4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 267.25 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103213647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).