[4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol

C10H13F6N3O — CID 103311291

IUPAC[4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(C)n1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6N3O/c1-8(2,3)19-5(4-20)17-18-7(19)6(9(11,12)13)10(14,15)16/h6,20H,4H2,1-3H3
InChIKeyOFOOVOFNFAAMGE-UHFFFAOYSA-N
MW305.22 g/mol
LogP2.73
Rot. Bonds2

About [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol

[4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103311291) has the molecular formula C10H13F6N3O and a molecular weight of 305.22 g/mol. Its IUPAC name is [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID103311291
Molecular FormulaC10H13F6N3O
Molecular Weight305.22 g/mol
Exact Mass305.10
IUPAC Name[4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(C)n1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6N3O/c1-8(2,3)19-5(4-20)17-18-7(19)6(9(11,12)13)10(14,15)16/h6,20H,4H2,1-3H3
InChIKeyOFOOVOFNFAAMGE-UHFFFAOYSA-N
XLogP2.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 129190894
[4-Tert-butyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934215
[4-Tert-butyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81935462
[4-Tert-butyl-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213635
[4-Tert-butyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213636
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103213642
[4-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213643
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103213645
[4-(2-Methylpropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213646
[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103311288
[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103311289
[4-Cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103311290

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 103311291) is [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol is CC(C)(C)n1c(CO)nnc1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is OFOOVOFNFAAMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N3O/c1-8(2,3)19-5(4-20)17-18-7(19)6(9(11,12)13)10(14,15)16/h6,20H,4H2,1-3H3.
What are the key properties of [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 305.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103311291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).