1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol

C6H9F2N3O — CID 112575472

IUPAC1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCn1ncnc1CC(O)C(F)F
InChIInChI=1S/C6H9F2N3O/c1-11-5(9-3-10-11)2-4(12)6(7)8/h3-4,6,12H,2H2,1H3
InChIKeyVSFVZDAKMLRDJU-UHFFFAOYSA-N
MW177.15 g/mol
LogP-0.02
Rot. Bonds3

About 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol

1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 112575472) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID112575472
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCn1ncnc1CC(O)C(F)F
InChIInChI=1S/C6H9F2N3O/c1-11-5(9-3-10-11)2-4(12)6(7)8/h3-4,6,12H,2H2,1H3
InChIKeyVSFVZDAKMLRDJU-UHFFFAOYSA-N
XLogP-0.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
1-chloro-1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575167
3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 116711380
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
CID 116660545
1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105107171
5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole
CID 106640178
3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061531
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107145
2-(2-methyl-1,2,4-triazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105159499
2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
CID 105107071
4,4,4-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-one
CID 103311493

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol (CID 112575472) is 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol is Cn1ncnc1CC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is VSFVZDAKMLRDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-11-5(9-3-10-11)2-4(12)6(7)8/h3-4,6,12H,2H2,1H3.
What are the key properties of 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 177.15 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 112575472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).