2-tert-butyl-3-fluorooxirane

C6H11FO — CID 12602083

IUPAC2-tert-butyl-3-fluorooxirane
SMILESCC(C)(C)C1OC1F
InChIInChI=1S/C6H11FO/c1-6(2,3)4-5(7)8-4/h4-5H,1-3H3
InChIKeyQXYLVAWMGVKGNN-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.73
Rot. Bonds

About 2-tert-butyl-3-fluorooxirane

2-tert-butyl-3-fluorooxirane (PubChem CID 12602083) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 2-tert-butyl-3-fluorooxirane.

Molecular Properties

Compound Name2-tert-butyl-3-fluorooxirane
PubChem CID12602083
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name2-tert-butyl-3-fluorooxirane
SMILESCC(C)(C)C1OC1F
InChIInChI=1S/C6H11FO/c1-6(2,3)4-5(7)8-4/h4-5H,1-3H3
InChIKeyQXYLVAWMGVKGNN-UHFFFAOYSA-N
XLogP1.73
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.73
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

2-tert-Butyloxirane
CID 92174
(2S)-2-(1,1-Dimethylethyl)oxirane
CID 7005022
(2R)-2-Tert-butyloxirane
CID 6992710
2-(2-Fluoropropan-2-yl)oxirane
CID 14364415
2-Tert-butyl-2,3-difluorooxirane
CID 12634313
2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]oxirane
CID 23506092
2-Tert-butyl-2-fluorooxirane
CID 122695104
3-Tert-butyl-2,2-difluorooxirane
CID 122695105
2-Ethyl-2-(fluoromethyl)oxirane
CID 126514113
2-(2-Fluoroethyl)-2-methyloxirane
CID 140020143
2-Ethyl-3-fluoro-2-methyloxirane
CID 141287945
2-(1,1-Difluoro-2-methylpropan-2-yl)oxirane
CID 151201630

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluorooxirane?
The IUPAC name of 2-tert-butyl-3-fluorooxirane (CID 12602083) is 2-tert-butyl-3-fluorooxirane.
What is the SMILES notation for 2-tert-butyl-3-fluorooxirane?
The canonical SMILES for 2-tert-butyl-3-fluorooxirane is CC(C)(C)C1OC1F.
What is the InChIKey of 2-tert-butyl-3-fluorooxirane?
The InChIKey is QXYLVAWMGVKGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-6(2,3)4-5(7)8-4/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-3-fluorooxirane?
2-tert-butyl-3-fluorooxirane has a molecular weight of 118.15 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluorooxirane is sourced from PubChem (CID 12602083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).