2-butyl-3-fluoro-2-methyloxirane

C7H13FO — CID 141187892

IUPAC2-butyl-3-fluoro-2-methyloxirane
SMILESCCCCC1(C)OC1F
InChIInChI=1S/C7H13FO/c1-3-4-5-7(2)6(8)9-7/h6H,3-5H2,1-2H3
InChIKeyQKHVHDRIYICFRI-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.26
Rot. Bonds3

About 2-butyl-3-fluoro-2-methyloxirane

2-butyl-3-fluoro-2-methyloxirane (PubChem CID 141187892) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-butyl-3-fluoro-2-methyloxirane.

Molecular Properties

Compound Name2-butyl-3-fluoro-2-methyloxirane
PubChem CID141187892
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name2-butyl-3-fluoro-2-methyloxirane
SMILESCCCCC1(C)OC1F
InChIInChI=1S/C7H13FO/c1-3-4-5-7(2)6(8)9-7/h6H,3-5H2,1-2H3
InChIKeyQKHVHDRIYICFRI-UHFFFAOYSA-N
XLogP2.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.26
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

Oxirane, 2-methyl-2-propyl-
CID 520806
(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-Butyl-2-fluorooxirane
CID 19099046
2-(3-Fluoro-3-methylbutyl)oxirane
CID 58350254
2-(Fluoromethyl)-2-pentyloxirane
CID 88675423
2-(3,3-Difluorobutyl)-2-methyloxirane
CID 134451867
2-(1-Fluoro-2-methylbutyl)oxirane
CID 139703850
2-(2-Fluoropropyl)-2-methyloxirane
CID 140020132
2-(2-Fluorobutyl)-2-methyloxirane
CID 140020134
2-Ethyl-2-(2-fluoropropyl)oxirane
CID 140020136

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-fluoro-2-methyloxirane?
The IUPAC name of 2-butyl-3-fluoro-2-methyloxirane (CID 141187892) is 2-butyl-3-fluoro-2-methyloxirane.
What is the SMILES notation for 2-butyl-3-fluoro-2-methyloxirane?
The canonical SMILES for 2-butyl-3-fluoro-2-methyloxirane is CCCCC1(C)OC1F.
What is the InChIKey of 2-butyl-3-fluoro-2-methyloxirane?
The InChIKey is QKHVHDRIYICFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-3-4-5-7(2)6(8)9-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-butyl-3-fluoro-2-methyloxirane?
2-butyl-3-fluoro-2-methyloxirane has a molecular weight of 132.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-fluoro-2-methyloxirane is sourced from PubChem (CID 141187892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).