4-(difluoromethyl)-4,5-dihydro-1,3-oxazole

C4H5F2NO — CID 173378923

IUPAC4-(difluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)C1COC=N1
InChIInChI=1S/C4H5F2NO/c5-4(6)3-1-8-2-7-3/h2-4H,1H2
InChIKeyQTMRSPFUQVGHCJ-UHFFFAOYSA-N
MW121.09 g/mol
LogP0.68
Rot. Bonds1

About 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole

4-(difluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 173378923) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID173378923
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC Name4-(difluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)C1COC=N1
InChIInChI=1S/C4H5F2NO/c5-4(6)3-1-8-2-7-3/h2-4H,1H2
InChIKeyQTMRSPFUQVGHCJ-UHFFFAOYSA-N
XLogP0.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole (CID 173378923) is 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole is FC(F)C1COC=N1.
What is the InChIKey of 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QTMRSPFUQVGHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO/c5-4(6)3-1-8-2-7-3/h2-4H,1H2.
What are the key properties of 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole?
4-(difluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 121.09 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 173378923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).