5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole

C6H7F2NO — CID 90397373

IUPAC5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole
SMILESCc1noc(C(F)F)c1C
InChIInChI=1S/C6H7F2NO/c1-3-4(2)9-10-5(3)6(7)8/h6H,1-2H3
InChIKeyPIIRTCIMZQEJMK-UHFFFAOYSA-N
MW147.12 g/mol
LogP2.23
Rot. Bonds1

About 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole

5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole (PubChem CID 90397373) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole
PubChem CID90397373
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole
SMILESCc1noc(C(F)F)c1C
InChIInChI=1S/C6H7F2NO/c1-3-4(2)9-10-5(3)6(7)8/h6H,1-2H3
InChIKeyPIIRTCIMZQEJMK-UHFFFAOYSA-N
XLogP2.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole (CID 90397373) is 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole is Cc1noc(C(F)F)c1C.
What is the InChIKey of 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole?
The InChIKey is PIIRTCIMZQEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c1-3-4(2)9-10-5(3)6(7)8/h6H,1-2H3.
What are the key properties of 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole?
5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole has a molecular weight of 147.12 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 90397373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).