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

C5H7F2N3O — CID 89310252

IUPAC1,1-difluoro-3-(triazol-1-yl)propan-2-ol
SMILESOC(Cn1ccnn1)C(F)F
InChIInChI=1S/C5H7F2N3O/c6-5(7)4(11)3-10-2-1-8-9-10/h1-2,4-5,11H,3H2
InChIKeyPNQVBGMZCOWQCQ-UHFFFAOYSA-N
MW163.13 g/mol
LogP-0.10
Rot. Bonds3

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

1,1-difluoro-3-(triazol-1-yl)propan-2-ol (PubChem CID 89310252) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 1,1-difluoro-3-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(triazol-1-yl)propan-2-ol
PubChem CID89310252
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name1,1-difluoro-3-(triazol-1-yl)propan-2-ol
SMILESOC(Cn1ccnn1)C(F)F
InChIInChI=1S/C5H7F2N3O/c6-5(7)4(11)3-10-2-1-8-9-10/h1-2,4-5,11H,3H2
InChIKeyPNQVBGMZCOWQCQ-UHFFFAOYSA-N
XLogP-0.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 89310128
2-hydroxy-3-(triazol-1-yl)propanoic acid
CID 84650508
(2R)-1-(triazol-1-yl)propan-2-amine
CID 59543908
2,3-bis(triazol-1-yl)propan-1-ol
CID 118272391
triazol-1-ylmethanol
CID 15568557
(2S)-2-methyl-3-(triazol-1-yl)propanenitrile
CID 170631739
(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol
CID 178069277
4-phenyl-1-(triazol-1-yl)butan-2-ol;hydrochloride
CID 66678961
carbon dioxide;fluoroform;2-(phosphonomethyl)-3-(triazol-1-yl)propanoic acid
CID 159231194
(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride
CID 170534885
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol
CID 178069278

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(triazol-1-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(triazol-1-yl)propan-2-ol (CID 89310252) is 1,1-difluoro-3-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(triazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(triazol-1-yl)propan-2-ol is OC(Cn1ccnn1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(triazol-1-yl)propan-2-ol?
The InChIKey is PNQVBGMZCOWQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c6-5(7)4(11)3-10-2-1-8-9-10/h1-2,4-5,11H,3H2.
What are the key properties of 1,1-difluoro-3-(triazol-1-yl)propan-2-ol?
1,1-difluoro-3-(triazol-1-yl)propan-2-ol has a molecular weight of 163.13 g/mol, XLogP of -0.10, 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-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 89310252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).