2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol

C7H11F2N3O — CID 176643557

IUPAC2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol
SMILESCC(C)c1cn(C(F)(F)CO)nn1
InChIInChI=1S/C7H11F2N3O/c1-5(2)6-3-12(11-10-6)7(8,9)4-13/h3,5,13H,4H2,1-2H3
InChIKeyKHNFPPPKKBVQBL-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.94
Rot. Bonds3

About 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol

2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol (PubChem CID 176643557) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol
PubChem CID176643557
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol
SMILESCC(C)c1cn(C(F)(F)CO)nn1
InChIInChI=1S/C7H11F2N3O/c1-5(2)6-3-12(11-10-6)7(8,9)4-13/h3,5,13H,4H2,1-2H3
InChIKeyKHNFPPPKKBVQBL-UHFFFAOYSA-N
XLogP0.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Fluoroethyl)-4-propan-2-yltriazole
CID 58384186
2-(4-tert-butyl-1H-1,2,3-triazol-1-yl)-2,2-difluoroethan-1-ol
CID 124179959
3-(4-Tert-butyltriazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 124179966
2,2-Difluoro-2-(4-methyltriazol-1-yl)ethanol
CID 124189252
2,2,2-Trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol
CID 130549069
1,1,1-Trifluoro-3-(4-methyltriazol-1-yl)propan-2-ol
CID 132120979
1-(2,2-Difluoroethyl)-4-propan-2-yltriazole
CID 132121029
1-(1,1-Difluoropropan-2-yl)-4-propan-2-yltriazole
CID 132121030
3-(4-Butan-2-yltriazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 132246971
1,1,1-Trifluoro-3-[4-(1-methylsulfanylethyl)triazol-1-yl]propan-2-ol
CID 132246978
4-(2-Fluoroethyl)-1-(1-methoxypropan-2-yl)triazole
CID 142603446
1-(Difluoromethyl)-4-propan-2-yltriazole
CID 153222742

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol (CID 176643557) is 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol is CC(C)c1cn(C(F)(F)CO)nn1.
What is the InChIKey of 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol?
The InChIKey is KHNFPPPKKBVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-5(2)6-3-12(11-10-6)7(8,9)4-13/h3,5,13H,4H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol?
2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol has a molecular weight of 191.18 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol is sourced from PubChem (CID 176643557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).