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

C9H11F6N3O — CID 103311289

IUPAC[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6N3O/c1-4(2)18-5(3-19)16-17-7(18)6(8(10,11)12)9(13,14)15/h4,6,19H,3H2,1-2H3
InChIKeyIVDBWBIRPWTSEP-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.56
Rot. Bonds3

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

[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 103311289) has the molecular formula C9H11F6N3O and a molecular weight of 291.20 g/mol. Its IUPAC name is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID103311289
Molecular FormulaC9H11F6N3O
Molecular Weight291.20 g/mol
Exact Mass291.08
IUPAC Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6N3O/c1-4(2)18-5(3-19)16-17-7(18)6(8(10,11)12)9(13,14)15/h4,6,19H,3H2,1-2H3
InChIKeyIVDBWBIRPWTSEP-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
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(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
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[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]methanol
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[5-(Difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
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(5-(Difluoromethyl)-4-methyl-4H-1,2,4-triazol-3-yl)methanol
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[5-Ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 126712835
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
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(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
CID 164920643
(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
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(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 103311289) is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is CC(C)n1c(CO)nnc1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is IVDBWBIRPWTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N3O/c1-4(2)18-5(3-19)16-17-7(18)6(8(10,11)12)9(13,14)15/h4,6,19H,3H2,1-2H3.
What are the key properties of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 291.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103311289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).