(3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one

C6H7FO2 — CID 143081069

IUPAC(3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one
SMILESCC1C/C(=C/F)C(=O)O1
InChIInChI=1S/C6H7FO2/c1-4-2-5(3-7)6(8)9-4/h3-4H,2H2,1H3/b5-3-
InChIKeyVPWJLNPXTITKSI-HYXAFXHYSA-N
MW130.12 g/mol
LogP1.18
Rot. Bonds

About (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one

(3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one (PubChem CID 143081069) has the molecular formula C6H7FO2 and a molecular weight of 130.12 g/mol. Its IUPAC name is (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one
PubChem CID143081069
Molecular FormulaC6H7FO2
Molecular Weight130.12 g/mol
Exact Mass130.04
IUPAC Name(3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one
SMILESCC1C/C(=C/F)C(=O)O1
InChIInChI=1S/C6H7FO2/c1-4-2-5(3-7)6(8)9-4/h3-4H,2H2,1H3/b5-3-
InChIKeyVPWJLNPXTITKSI-HYXAFXHYSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one?
The IUPAC name of (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one (CID 143081069) is (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one.
What is the SMILES notation for (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one?
The canonical SMILES for (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one is CC1C/C(=C/F)C(=O)O1.
What is the InChIKey of (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one?
The InChIKey is VPWJLNPXTITKSI-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H7FO2/c1-4-2-5(3-7)6(8)9-4/h3-4H,2H2,1H3/b5-3-.
What are the key properties of (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one?
(3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one has a molecular weight of 130.12 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(fluoromethylidene)-5-methyloxolan-2-one is sourced from PubChem (CID 143081069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).