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

C8H13F3O — CID 10607497

IUPAC2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane
SMILESCC1(C)OC1(C)CCC(F)(F)F
InChIInChI=1S/C8H13F3O/c1-6(2)7(3,12-6)4-5-8(9,10)11/h4-5H2,1-3H3
InChIKeyNAHPMRCDZNSKDQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.90
Rot. Bonds2

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

2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane (PubChem CID 10607497) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane
PubChem CID10607497
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane
SMILESCC1(C)OC1(C)CCC(F)(F)F
InChIInChI=1S/C8H13F3O/c1-6(2)7(3,12-6)4-5-8(9,10)11/h4-5H2,1-3H3
InChIKeyNAHPMRCDZNSKDQ-UHFFFAOYSA-N
XLogP2.90
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.90
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-trimethyl-3-(3,3,3-trifluoropropyl)oxirane?
The IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane (CID 10607497) is 2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane.
What is the SMILES notation for 2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane?
The canonical SMILES for 2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane is CC1(C)OC1(C)CCC(F)(F)F.
What is the InChIKey of 2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane?
The InChIKey is NAHPMRCDZNSKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6(2)7(3,12-6)4-5-8(9,10)11/h4-5H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane?
2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane has a molecular weight of 182.18 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3,3,3-trifluoropropyl)oxirane is sourced from PubChem (CID 10607497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).