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

C9H11F6N3O2 — CID 103311288

IUPAC[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6N3O2/c1-20-3-2-18-5(4-19)16-17-7(18)6(8(10,11)12)9(13,14)15/h6,19H,2-4H2,1H3
InChIKeySMIXSEAFXHYKNC-UHFFFAOYSA-N
MW307.19 g/mol
LogP1.62
Rot. Bonds5

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

[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103311288) has the molecular formula C9H11F6N3O2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103311288
Molecular FormulaC9H11F6N3O2
Molecular Weight307.19 g/mol
Exact Mass307.08
IUPAC Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6N3O2/c1-20-3-2-18-5(4-19)16-17-7(18)6(8(10,11)12)9(13,14)15/h6,19H,2-4H2,1H3
InChIKeySMIXSEAFXHYKNC-UHFFFAOYSA-N
XLogP1.62
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 103311288) is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(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-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is SMIXSEAFXHYKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N3O2/c1-20-3-2-18-5(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-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 307.19 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103311288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).