5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol

C11H18F3N3O — CID 79953741

IUPAC5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
SMILESCC(C)Cn1ncnc1CC(O)CCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8(2)6-17-10(15-7-16-17)5-9(18)3-4-11(12,13)14/h7-9,18H,3-6H2,1-2H3
InChIKeyPQZRXLSDDQILGE-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.18
Rot. Bonds6

About 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol

5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol (PubChem CID 79953741) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
PubChem CID79953741
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
SMILESCC(C)Cn1ncnc1CC(O)CCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8(2)6-17-10(15-7-16-17)5-9(18)3-4-11(12,13)14/h7-9,18H,3-6H2,1-2H3
InChIKeyPQZRXLSDDQILGE-UHFFFAOYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Methylideneamino)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 156532993
4-Methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 103027591
1-(2-Ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027597
4,4,4-Trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65602060
1,1,1-Trifluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 65602457
1-(2-Ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluorobutan-2-ol
CID 65605004
4,4,4-Trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65605005
4,4,4-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 65605204
4,4,4-Trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 65605205
3-(1-Ethyl-1h-1,2,4-triazol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 65606410
1,1,1-Trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
CID 65606411
1,1,1-Trifluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 65606412

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol (CID 79953741) is 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol is CC(C)Cn1ncnc1CC(O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol?
The InChIKey is PQZRXLSDDQILGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-8(2)6-17-10(15-7-16-17)5-9(18)3-4-11(12,13)14/h7-9,18H,3-6H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol?
5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol has a molecular weight of 265.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol is sourced from PubChem (CID 79953741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).