2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol

C11H11F2N3O2 — CID 165476740

IUPAC2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol
SMILESCOc1ccc(-c2cn(C(F)(F)CO)nn2)cc1
InChIInChI=1S/C11H11F2N3O2/c1-18-9-4-2-8(3-5-9)10-6-16(15-14-10)11(12,13)7-17/h2-6,17H,7H2,1H3
InChIKeyVCGSDLZHZFLBSU-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.50
Rot. Bonds4

About 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol

2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol (PubChem CID 165476740) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol
PubChem CID165476740
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol
SMILESCOc1ccc(-c2cn(C(F)(F)CO)nn2)cc1
InChIInChI=1S/C11H11F2N3O2/c1-18-9-4-2-8(3-5-9)10-6-16(15-14-10)11(12,13)7-17/h2-6,17H,7H2,1H3
InChIKeyVCGSDLZHZFLBSU-UHFFFAOYSA-N
XLogP1.50
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)triazole
CID 129189733
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
CID 155020377
1-(1,1-difluoro-2-hydroxyethyl)-N-(6-methoxy-2-methyl-3-pyridinyl)triazole-4-carboxamide
CID 136561762
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
2-[4-(1-tert-butyltriazol-4-yl)phenoxy]-4,6-bis[4-(1-propan-2-yltriazol-4-yl)phenoxy]-1,3,5-triazine
CID 155097533
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-(4-methoxyphenyl)triazole
CID 25258923

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol?
The IUPAC name of 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol (CID 165476740) is 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol.
What is the SMILES notation for 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol?
The canonical SMILES for 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol is COc1ccc(-c2cn(C(F)(F)CO)nn2)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol?
The InChIKey is VCGSDLZHZFLBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-18-9-4-2-8(3-5-9)10-6-16(15-14-10)11(12,13)7-17/h2-6,17H,7H2,1H3.
What are the key properties of 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol?
2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol has a molecular weight of 255.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanol is sourced from PubChem (CID 165476740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).