2-(3-fluoroprop-2-enyl)-3-methyloxirane

C6H9FO — CID 173259415

IUPAC2-(3-fluoroprop-2-enyl)-3-methyloxirane
SMILESCC1OC1CC=CF
InChIInChI=1S/C6H9FO/c1-5-6(8-5)3-2-4-7/h2,4-6H,3H2,1H3
InChIKeyXHEBAEAAHARHKR-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.65
Rot. Bonds2

About 2-(3-fluoroprop-2-enyl)-3-methyloxirane

2-(3-fluoroprop-2-enyl)-3-methyloxirane (PubChem CID 173259415) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-(3-fluoroprop-2-enyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(3-fluoroprop-2-enyl)-3-methyloxirane
PubChem CID173259415
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-(3-fluoroprop-2-enyl)-3-methyloxirane
SMILESCC1OC1CC=CF
InChIInChI=1S/C6H9FO/c1-5-6(8-5)3-2-4-7/h2,4-6H,3H2,1H3
InChIKeyXHEBAEAAHARHKR-UHFFFAOYSA-N
XLogP1.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroprop-2-enyl)-3-methyloxirane?
The IUPAC name of 2-(3-fluoroprop-2-enyl)-3-methyloxirane (CID 173259415) is 2-(3-fluoroprop-2-enyl)-3-methyloxirane.
What is the SMILES notation for 2-(3-fluoroprop-2-enyl)-3-methyloxirane?
The canonical SMILES for 2-(3-fluoroprop-2-enyl)-3-methyloxirane is CC1OC1CC=CF.
What is the InChIKey of 2-(3-fluoroprop-2-enyl)-3-methyloxirane?
The InChIKey is XHEBAEAAHARHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-5-6(8-5)3-2-4-7/h2,4-6H,3H2,1H3.
What are the key properties of 2-(3-fluoroprop-2-enyl)-3-methyloxirane?
2-(3-fluoroprop-2-enyl)-3-methyloxirane has a molecular weight of 116.13 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroprop-2-enyl)-3-methyloxirane is sourced from PubChem (CID 173259415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).