3-(difluoromethyl)-2,2-dimethyloxirane

C5H8F2O — CID 162535829

IUPAC3-(difluoromethyl)-2,2-dimethyloxirane
SMILESCC1(C)OC1C(F)F
InChIInChI=1S/C5H8F2O/c1-5(2)3(8-5)4(6)7/h3-4H,1-2H3
InChIKeyJAVQTNWMKYNJTM-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.43
Rot. Bonds1

About 3-(difluoromethyl)-2,2-dimethyloxirane

3-(difluoromethyl)-2,2-dimethyloxirane (PubChem CID 162535829) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(difluoromethyl)-2,2-dimethyloxirane
PubChem CID162535829
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name3-(difluoromethyl)-2,2-dimethyloxirane
SMILESCC1(C)OC1C(F)F
InChIInChI=1S/C5H8F2O/c1-5(2)3(8-5)4(6)7/h3-4H,1-2H3
InChIKeyJAVQTNWMKYNJTM-UHFFFAOYSA-N
XLogP1.43
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.43
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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Related Compounds

Trimethyloxirane
CID 21158
2-Methyl-2-(trifluoromethyl)oxirane
CID 13620760
2-(Difluoromethyl)-2-methyloxirane
CID 137838565
2-Ethyl-2-(trifluoromethyl)oxirane
CID 23233498
(2S)-2-methyl-2-(trifluoromethyl)oxirane
CID 11815866
1,1-Difluoro-2-(2-methylbutan-2-yloxy)cyclopropane
CID 45090819
(3R)-2,2,3-trimethyloxirane
CID 6999849
1,1,1-Trifluoro-2,3-epoxybutane
CID 2777109
2-Methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
2-Methyl-2-(2,2,2-trifluoroethyl)oxirane
CID 14985017
2-(Difluoromethyl)-3-methyloxirane
CID 15507744
1,1,1-Trifluoro-2-methyl-2-propan-2-yloxypropane
CID 20782610

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(difluoromethyl)-2,2-dimethyloxirane (CID 162535829) is 3-(difluoromethyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(difluoromethyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(difluoromethyl)-2,2-dimethyloxirane is CC1(C)OC1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2,2-dimethyloxirane?
The InChIKey is JAVQTNWMKYNJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-5(2)3(8-5)4(6)7/h3-4H,1-2H3.
What are the key properties of 3-(difluoromethyl)-2,2-dimethyloxirane?
3-(difluoromethyl)-2,2-dimethyloxirane has a molecular weight of 122.11 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,2-dimethyloxirane is sourced from PubChem (CID 162535829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).