5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole

C9H9ClF3NO — CID 131002480

IUPAC5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole
SMILESCC1(c2nc(C(F)F)c(CCl)o2)CC1F
InChIInChI=1S/C9H9ClF3NO/c1-9(2-5(9)11)8-14-6(7(12)13)4(3-10)15-8/h5,7H,2-3H2,1H3
InChIKeyZVNPUGNQJKPQAQ-UHFFFAOYSA-N
MW239.62 g/mol
LogP3.35
Rot. Bonds3

About 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole

5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole (PubChem CID 131002480) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole
PubChem CID131002480
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole
SMILESCC1(c2nc(C(F)F)c(CCl)o2)CC1F
InChIInChI=1S/C9H9ClF3NO/c1-9(2-5(9)11)8-14-6(7(12)13)4(3-10)15-8/h5,7H,2-3H2,1H3
InChIKeyZVNPUGNQJKPQAQ-UHFFFAOYSA-N
XLogP3.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole (CID 131002480) is 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole is CC1(c2nc(C(F)F)c(CCl)o2)CC1F.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole?
The InChIKey is ZVNPUGNQJKPQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c1-9(2-5(9)11)8-14-6(7(12)13)4(3-10)15-8/h5,7H,2-3H2,1H3.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole?
5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole has a molecular weight of 239.62 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole is sourced from PubChem (CID 131002480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).