2-(3,3-difluorobutyl)-2-methyloxirane

C7H12F2O — CID 134451867

IUPAC2-(3,3-difluorobutyl)-2-methyloxirane
SMILESCC(F)(F)CCC1(C)CO1
InChIInChI=1S/C7H12F2O/c1-6(5-10-6)3-4-7(2,8)9/h3-5H2,1-2H3
InChIKeyQBVWRNQQSHAGJM-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.21
Rot. Bonds3

About 2-(3,3-difluorobutyl)-2-methyloxirane

2-(3,3-difluorobutyl)-2-methyloxirane (PubChem CID 134451867) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-(3,3-difluorobutyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(3,3-difluorobutyl)-2-methyloxirane
PubChem CID134451867
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2-(3,3-difluorobutyl)-2-methyloxirane
SMILESCC(F)(F)CCC1(C)CO1
InChIInChI=1S/C7H12F2O/c1-6(5-10-6)3-4-7(2,8)9/h3-5H2,1-2H3
InChIKeyQBVWRNQQSHAGJM-UHFFFAOYSA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.21
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

(Perfluorobutyl)methyloxirane
CID 89279490
2-Methyl-1,2-epoxyhexane
CID 10920480
2-Methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
CID 12561590
2-(2,2,3,4,4,4-Hexafluoro-3-methylbutyl)oxirane
CID 18702689
2-(2,2-Dimethylpropyl)-2-(trifluoromethyl)oxirane
CID 59010012
2-Butyl-3-methyl-2-(trifluoromethyl)oxirane
CID 87423129
(2R)-2-(2-iodo-2-methylpropyl)-2-(trifluoromethyl)oxirane
CID 88581105
2-(2-Fluoropropyl)-2-methyloxirane
CID 140020132
2-(2-Fluorobutyl)-2-methyloxirane
CID 140020134
2-Ethyl-2-(2-fluoropropyl)oxirane
CID 140020136
2-Ethyl-2-(2-fluorobutyl)oxirane
CID 140020148
2-Methyl-2-(2,2,3,3,3-pentafluoropropyl)oxirane
CID 140269809

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorobutyl)-2-methyloxirane?
The IUPAC name of 2-(3,3-difluorobutyl)-2-methyloxirane (CID 134451867) is 2-(3,3-difluorobutyl)-2-methyloxirane.
What is the SMILES notation for 2-(3,3-difluorobutyl)-2-methyloxirane?
The canonical SMILES for 2-(3,3-difluorobutyl)-2-methyloxirane is CC(F)(F)CCC1(C)CO1.
What is the InChIKey of 2-(3,3-difluorobutyl)-2-methyloxirane?
The InChIKey is QBVWRNQQSHAGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-6(5-10-6)3-4-7(2,8)9/h3-5H2,1-2H3.
What are the key properties of 2-(3,3-difluorobutyl)-2-methyloxirane?
2-(3,3-difluorobutyl)-2-methyloxirane has a molecular weight of 150.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorobutyl)-2-methyloxirane is sourced from PubChem (CID 134451867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).