2-methyl-2-(3,3,3-trifluoropropyl)oxirane

C6H9F3O — CID 150700603

IUPAC2-methyl-2-(3,3,3-trifluoropropyl)oxirane
SMILESCC1(CCC(F)(F)F)CO1
InChIInChI=1S/C6H9F3O/c1-5(4-10-5)2-3-6(7,8)9/h2-4H2,1H3
InChIKeyJLUFDLGMBLPNAV-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.12
Rot. Bonds2

About 2-methyl-2-(3,3,3-trifluoropropyl)oxirane

2-methyl-2-(3,3,3-trifluoropropyl)oxirane (PubChem CID 150700603) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-methyl-2-(3,3,3-trifluoropropyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(3,3,3-trifluoropropyl)oxirane
PubChem CID150700603
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-methyl-2-(3,3,3-trifluoropropyl)oxirane
SMILESCC1(CCC(F)(F)F)CO1
InChIInChI=1S/C6H9F3O/c1-5(4-10-5)2-3-6(7,8)9/h2-4H2,1H3
InChIKeyJLUFDLGMBLPNAV-UHFFFAOYSA-N
XLogP2.12
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.12
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-methyl-2-(3,3,3-trifluoropropyl)oxirane?
The IUPAC name of 2-methyl-2-(3,3,3-trifluoropropyl)oxirane (CID 150700603) is 2-methyl-2-(3,3,3-trifluoropropyl)oxirane.
What is the SMILES notation for 2-methyl-2-(3,3,3-trifluoropropyl)oxirane?
The canonical SMILES for 2-methyl-2-(3,3,3-trifluoropropyl)oxirane is CC1(CCC(F)(F)F)CO1.
What is the InChIKey of 2-methyl-2-(3,3,3-trifluoropropyl)oxirane?
The InChIKey is JLUFDLGMBLPNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-5(4-10-5)2-3-6(7,8)9/h2-4H2,1H3.
What are the key properties of 2-methyl-2-(3,3,3-trifluoropropyl)oxirane?
2-methyl-2-(3,3,3-trifluoropropyl)oxirane has a molecular weight of 154.13 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,3,3-trifluoropropyl)oxirane is sourced from PubChem (CID 150700603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).