1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol

C6H7F2NO2 — CID 89310138

IUPAC1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol
SMILESCC(O)C(F)(F)c1cnco1
InChIInChI=1S/C6H7F2NO2/c1-4(10)6(7,8)5-2-9-3-11-5/h2-4,10H,1H3
InChIKeyWMEODXQBSAFOEK-UHFFFAOYSA-N
MW163.12 g/mol
LogP1.15
Rot. Bonds2

About 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol

1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol (PubChem CID 89310138) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol
PubChem CID89310138
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol
SMILESCC(O)C(F)(F)c1cnco1
InChIInChI=1S/C6H7F2NO2/c1-4(10)6(7,8)5-2-9-3-11-5/h2-4,10H,1H3
InChIKeyWMEODXQBSAFOEK-UHFFFAOYSA-N
XLogP1.15
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol (CID 89310138) is 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol is CC(O)C(F)(F)c1cnco1.
What is the InChIKey of 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol?
The InChIKey is WMEODXQBSAFOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c1-4(10)6(7,8)5-2-9-3-11-5/h2-4,10H,1H3.
What are the key properties of 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol?
1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol has a molecular weight of 163.12 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(1,3-oxazol-5-yl)propan-2-ol is sourced from PubChem (CID 89310138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).