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

C9H11F6N3O — CID 103311293

IUPAC[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6N3O/c1-2-3-18-5(4-19)16-17-7(18)6(8(10,11)12)9(13,14)15/h6,19H,2-4H2,1H3
InChIKeyHYORJLFBWPUCIH-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.39
Rot. Bonds4

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

[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103311293) 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-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID103311293
Molecular FormulaC9H11F6N3O
Molecular Weight291.20 g/mol
Exact Mass291.08
IUPAC Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6N3O/c1-2-3-18-5(4-19)16-17-7(18)6(8(10,11)12)9(13,14)15/h6,19H,2-4H2,1H3
InChIKeyHYORJLFBWPUCIH-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 103311293) is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(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-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is HYORJLFBWPUCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N3O/c1-2-3-18-5(4-19)16-17-7(18)6(8(10,11)12)9(13,14)15/h6,19H,2-4H2,1H3.
What are the key properties of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 291.20 g/mol, XLogP of 2.39, 4 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-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103311293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).