[3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol

C6H6F5N3O — CID 69472091

IUPAC[3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol
SMILESOCn1cnc(C(F)(F)CC(F)(F)F)n1
InChIInChI=1S/C6H6F5N3O/c7-5(8,1-6(9,10)11)4-12-2-14(3-15)13-4/h2,15H,1,3H2
InChIKeyNMAUCFMLHQNZOT-UHFFFAOYSA-N
MW231.12 g/mol
LogP1.27
Rot. Bonds3

About [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol

[3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol (PubChem CID 69472091) has the molecular formula C6H6F5N3O and a molecular weight of 231.12 g/mol. Its IUPAC name is [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol.

Molecular Properties

Compound Name[3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol
PubChem CID69472091
Molecular FormulaC6H6F5N3O
Molecular Weight231.12 g/mol
Exact Mass231.04
IUPAC Name[3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol
SMILESOCn1cnc(C(F)(F)CC(F)(F)F)n1
InChIInChI=1S/C6H6F5N3O/c7-5(8,1-6(9,10)11)4-12-2-14(3-15)13-4/h2,15H,1,3H2
InChIKeyNMAUCFMLHQNZOT-UHFFFAOYSA-N
XLogP1.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Heptafluoropropyl)-3-methoxy-1-methyl-1H-1,2,4-triazole
CID 11254517
3-(pentafluoroethyl)-1H-1,2,4-triazole 1-ylmethanol
CID 23149128
1-(Hydroxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 23149140
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole
CID 23149170
1-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57028757
[3-(Fluoromethyl)-1,2,4-triazol-1-yl]methanol
CID 57050035
2-[3-(Trifluoromethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 57147252
3-(1,1-Difluoroethyl)-1-methyl-1,2,4-triazole
CID 59330590
2,2,2-Trifluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330640
1-(chloromethyl)-3-(pentafluoropropyl)-1H-1,2,4-triazole
CID 86612678
[3-(1,1,2,2,3-Pentafluoropropyl)-1,2,4-triazol-1-yl]methanol
CID 87847902
1-(Chloromethyl)-3-(1,1,2,2,3-pentafluoropropyl)-1,2,4-triazole
CID 87847907

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol?
The IUPAC name of [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol (CID 69472091) is [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol.
What is the SMILES notation for [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol?
The canonical SMILES for [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol is OCn1cnc(C(F)(F)CC(F)(F)F)n1.
What is the InChIKey of [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol?
The InChIKey is NMAUCFMLHQNZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5N3O/c7-5(8,1-6(9,10)11)4-12-2-14(3-15)13-4/h2,15H,1,3H2.
What are the key properties of [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol?
[3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol has a molecular weight of 231.12 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,3,3,3-pentafluoropropyl)-1,2,4-triazol-1-yl]methanol is sourced from PubChem (CID 69472091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).