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

C6H7F2NO2 — CID 89310136

IUPAC1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol
SMILESOC(Cc1cnco1)C(F)F
InChIInChI=1S/C6H7F2NO2/c7-6(8)5(10)1-4-2-9-3-11-4/h2-3,5-6,10H,1H2
InChIKeyOWCPNNYTFRXFAK-UHFFFAOYSA-N
MW163.12 g/mol
LogP0.84
Rot. Bonds3

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

1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol (PubChem CID 89310136) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol
PubChem CID89310136
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol
SMILESOC(Cc1cnco1)C(F)F
InChIInChI=1S/C6H7F2NO2/c7-6(8)5(10)1-4-2-9-3-11-4/h2-3,5-6,10H,1H2
InChIKeyOWCPNNYTFRXFAK-UHFFFAOYSA-N
XLogP0.84
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol (CID 89310136) is 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol is OC(Cc1cnco1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol?
The InChIKey is OWCPNNYTFRXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c7-6(8)5(10)1-4-2-9-3-11-4/h2-3,5-6,10H,1H2.
What are the key properties of 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol?
1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol has a molecular weight of 163.12 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1,3-oxazol-5-yl)propan-2-ol is sourced from PubChem (CID 89310136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).