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

C8H9F6N3O — CID 103311292

IUPAC[4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6N3O/c1-2-17-4(3-18)15-16-6(17)5(7(9,10)11)8(12,13)14/h5,18H,2-3H2,1H3
InChIKeySFWPELIJAGRFNF-UHFFFAOYSA-N
MW277.17 g/mol
LogP2.00
Rot. Bonds3

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

[4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103311292) has the molecular formula C8H9F6N3O and a molecular weight of 277.17 g/mol. Its IUPAC name is [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID103311292
Molecular FormulaC8H9F6N3O
Molecular Weight277.17 g/mol
Exact Mass277.06
IUPAC Name[4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6N3O/c1-2-17-4(3-18)15-16-6(17)5(7(9,10)11)8(12,13)14/h5,18H,2-3H2,1H3
InChIKeySFWPELIJAGRFNF-UHFFFAOYSA-N
XLogP2.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
[5-Methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 68355492
[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 90300120
[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]methanol
CID 97619252
[5-(Difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395995
(5-(Difluoromethyl)-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 121597947
[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
CID 129190894
(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
CID 164920643
(4-(2-((tert-Butyldimethylsilyl)oxy)ethyl)-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 168206378

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 103311292) is [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is SFWPELIJAGRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6N3O/c1-2-17-4(3-18)15-16-6(17)5(7(9,10)11)8(12,13)14/h5,18H,2-3H2,1H3.
What are the key properties of [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 277.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103311292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).