2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane

C6H9F3O — CID 59687222

IUPAC2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane
SMILESFCC(F)(CF)CC1CO1
InChIInChI=1S/C6H9F3O/c7-3-6(9,4-8)1-5-2-10-5/h5H,1-4H2
InChIKeyWOMXNCLJGHUMQW-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.42
Rot. Bonds4

About 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane

2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane (PubChem CID 59687222) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane.

Molecular Properties

Compound Name2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane
PubChem CID59687222
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane
SMILESFCC(F)(CF)CC1CO1
InChIInChI=1S/C6H9F3O/c7-3-6(9,4-8)1-5-2-10-5/h5H,1-4H2
InChIKeyWOMXNCLJGHUMQW-UHFFFAOYSA-N
XLogP1.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.42
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-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane?
The IUPAC name of 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane (CID 59687222) is 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane.
What is the SMILES notation for 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane?
The canonical SMILES for 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane is FCC(F)(CF)CC1CO1.
What is the InChIKey of 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane?
The InChIKey is WOMXNCLJGHUMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c7-3-6(9,4-8)1-5-2-10-5/h5H,1-4H2.
What are the key properties of 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane?
2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane has a molecular weight of 154.13 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-2-(fluoromethyl)propyl]oxirane is sourced from PubChem (CID 59687222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).