2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane

C10H14F4O — CID 88552908

IUPAC2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane
SMILESCC1OC1C1CC(C)C(F)(C(F)(F)F)C1
InChIInChI=1S/C10H14F4O/c1-5-3-7(8-6(2)15-8)4-9(5,11)10(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyHGCGFDQWCDVTPH-UHFFFAOYSA-N
MW226.21 g/mol
LogP3.09
Rot. Bonds1

About 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane

2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane (PubChem CID 88552908) has the molecular formula C10H14F4O and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane
PubChem CID88552908
Molecular FormulaC10H14F4O
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane
SMILESCC1OC1C1CC(C)C(F)(C(F)(F)F)C1
InChIInChI=1S/C10H14F4O/c1-5-3-7(8-6(2)15-8)4-9(5,11)10(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyHGCGFDQWCDVTPH-UHFFFAOYSA-N
XLogP3.09
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane?
The IUPAC name of 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane (CID 88552908) is 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane.
What is the SMILES notation for 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane?
The canonical SMILES for 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane is CC1OC1C1CC(C)C(F)(C(F)(F)F)C1.
What is the InChIKey of 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane?
The InChIKey is HGCGFDQWCDVTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O/c1-5-3-7(8-6(2)15-8)4-9(5,11)10(12,13)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane?
2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane has a molecular weight of 226.21 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane is sourced from PubChem (CID 88552908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).