1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol

C13H15F2N3O — CID 115524867

IUPAC1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1ncnc1CC(O)c1ccc(C(F)F)cc1
InChIInChI=1S/C13H15F2N3O/c1-2-18-12(16-8-17-18)7-11(19)9-3-5-10(6-4-9)13(14)15/h3-6,8,11,13,19H,2,7H2,1H3
InChIKeyJQJRRVLNRWNIOG-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.51
Rot. Bonds5

About 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol

1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 115524867) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
PubChem CID115524867
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1ncnc1CC(O)c1ccc(C(F)F)cc1
InChIInChI=1S/C13H15F2N3O/c1-2-18-12(16-8-17-18)7-11(19)9-3-5-10(6-4-9)13(14)15/h3-6,8,11,13,19H,2,7H2,1H3
InChIKeyJQJRRVLNRWNIOG-UHFFFAOYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109063
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol
CID 114075656
1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816575
1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559
1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 107103402
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
CID 105109150
1-(4-methylsulfanylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813779
1-(5-chloro-1-methylimidazol-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 114239421
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105109180

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol (CID 115524867) is 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol is CCn1ncnc1CC(O)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is JQJRRVLNRWNIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-2-18-12(16-8-17-18)7-11(19)9-3-5-10(6-4-9)13(14)15/h3-6,8,11,13,19H,2,7H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 267.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 115524867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).