2-(2-fluoropropan-2-yl)oxirane

C5H9FO — CID 14364415

IUPAC2-(2-fluoropropan-2-yl)oxirane
SMILESCC(C)(F)C1CO1
InChIInChI=1S/C5H9FO/c1-5(2,6)4-3-7-4/h4H,3H2,1-2H3
InChIKeyOFSQPBODPURWFD-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.13
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)oxirane

2-(2-fluoropropan-2-yl)oxirane (PubChem CID 14364415) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)oxirane.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)oxirane
PubChem CID14364415
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name2-(2-fluoropropan-2-yl)oxirane
SMILESCC(C)(F)C1CO1
InChIInChI=1S/C5H9FO/c1-5(2,6)4-3-7-4/h4H,3H2,1-2H3
InChIKeyOFSQPBODPURWFD-UHFFFAOYSA-N
XLogP1.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.13
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

1,2-Epoxy-3-methylbutane
CID 102618
2-Fluoro-3-methoxy-2-methylbutane
CID 12700782
(R)-Isopropyloxirane
CID 7017987
2-Tert-butyl-3-fluorooxirane
CID 12602083
2-Tert-butyl-2,3-difluorooxirane
CID 12634313
2-(1-Fluoroethyl)oxirane
CID 14364405
2-Ethyl-3-fluorooxirane
CID 23067826
2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]oxirane
CID 23506092
2-(1,1,1-Trifluoropropan-2-yl)oxirane
CID 90191541
2-Tert-butyl-2-fluorooxirane
CID 122695104
3-Tert-butyl-2,2-difluorooxirane
CID 122695105
2-Ethyl-2-(fluoromethyl)oxirane
CID 126514113

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)oxirane?
The IUPAC name of 2-(2-fluoropropan-2-yl)oxirane (CID 14364415) is 2-(2-fluoropropan-2-yl)oxirane.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)oxirane?
The canonical SMILES for 2-(2-fluoropropan-2-yl)oxirane is CC(C)(F)C1CO1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)oxirane?
The InChIKey is OFSQPBODPURWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-5(2,6)4-3-7-4/h4H,3H2,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)oxirane?
2-(2-fluoropropan-2-yl)oxirane has a molecular weight of 104.12 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)oxirane is sourced from PubChem (CID 14364415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).