ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane

C8H15F3O — CID 176555049

IUPACethane;2-propan-2-yl-2-(trifluoromethyl)oxirane
SMILESCC.CC(C)C1(C(F)(F)F)CO1
InChIInChI=1S/C6H9F3O.C2H6/c1-4(2)5(3-10-5)6(7,8)9;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyIFJAAMMSFBBQKG-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.00
Rot. Bonds1

About ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane

ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane (PubChem CID 176555049) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Nameethane;2-propan-2-yl-2-(trifluoromethyl)oxirane
PubChem CID176555049
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Nameethane;2-propan-2-yl-2-(trifluoromethyl)oxirane
SMILESCC.CC(C)C1(C(F)(F)F)CO1
InChIInChI=1S/C6H9F3O.C2H6/c1-4(2)5(3-10-5)6(7,8)9;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyIFJAAMMSFBBQKG-UHFFFAOYSA-N
XLogP3.00
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
CID 171746482
phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol
CID 12037703
2-ethyl-2-(trifluoromethyl)oxirane
CID 23233498
ethane;2-methyl-2-(trifluoromethyl)oxetane
CID 177148126
propan-2-yl 2-(trifluoromethyl)oxirane-2-carboxylate
CID 87993908
2,2-difluorooxirane
CID 19829575
4-propan-2-yl-4-(trifluoromethyl)cyclopentene
CID 89050504
1-propan-2-yl-1-(trifluoromethyl)cycloheptane
CID 146637016
(3R)-3-propan-2-yl-2,2-bis(trifluoromethyl)oxirane
CID 59459127
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 166826440
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
2-tert-butyl-2-propan-2-ylmorpholine
CID 163451577

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane?
The IUPAC name of ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane (CID 176555049) is ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane.
What is the SMILES notation for ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane?
The canonical SMILES for ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane is CC.CC(C)C1(C(F)(F)F)CO1.
What is the InChIKey of ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane?
The InChIKey is IFJAAMMSFBBQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O.C2H6/c1-4(2)5(3-10-5)6(7,8)9;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane?
ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane has a molecular weight of 184.20 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 176555049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).