2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole

C6H4F3NO — CID 173233723

IUPAC2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole
SMILESFC(=Cc1ncco1)C(F)F
InChIInChI=1S/C6H4F3NO/c7-4(6(8)9)3-5-10-1-2-11-5/h1-3,6H
InChIKeyRPXVCMCMOBBTEC-UHFFFAOYSA-N
MW163.10 g/mol
LogP2.25
Rot. Bonds2

About 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole

2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole (PubChem CID 173233723) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole
PubChem CID173233723
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole
SMILESFC(=Cc1ncco1)C(F)F
InChIInChI=1S/C6H4F3NO/c7-4(6(8)9)3-5-10-1-2-11-5/h1-3,6H
InChIKeyRPXVCMCMOBBTEC-UHFFFAOYSA-N
XLogP2.25
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole?
The IUPAC name of 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole (CID 173233723) is 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole.
What is the SMILES notation for 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole?
The canonical SMILES for 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole is FC(=Cc1ncco1)C(F)F.
What is the InChIKey of 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole?
The InChIKey is RPXVCMCMOBBTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-4(6(8)9)3-5-10-1-2-11-5/h1-3,6H.
What are the key properties of 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole?
2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole has a molecular weight of 163.10 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trifluoroprop-1-enyl)-1,3-oxazole is sourced from PubChem (CID 173233723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).