(4E)-4-(fluoromethylidene)oxolan-2-one

C5H5FO2 — CID 154552719

IUPAC(4E)-4-(fluoromethylidene)oxolan-2-one
SMILESO=C1C/C(=C\F)CO1
InChIInChI=1S/C5H5FO2/c6-2-4-1-5(7)8-3-4/h2H,1,3H2/b4-2+
InChIKeySIZWEUQCTPTGEC-DUXPYHPUSA-N
MW116.09 g/mol
LogP0.79
Rot. Bonds

About (4E)-4-(fluoromethylidene)oxolan-2-one

(4E)-4-(fluoromethylidene)oxolan-2-one (PubChem CID 154552719) has the molecular formula C5H5FO2 and a molecular weight of 116.09 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)oxolan-2-one.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)oxolan-2-one
PubChem CID154552719
Molecular FormulaC5H5FO2
Molecular Weight116.09 g/mol
Exact Mass116.03
IUPAC Name(4E)-4-(fluoromethylidene)oxolan-2-one
SMILESO=C1C/C(=C\F)CO1
InChIInChI=1S/C5H5FO2/c6-2-4-1-5(7)8-3-4/h2H,1,3H2/b4-2+
InChIKeySIZWEUQCTPTGEC-DUXPYHPUSA-N
XLogP0.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-(3,3-dimethylbutylidene)oxolan-2-one
CID 132514423
1,4-dioxane-2,5-dione;methane
CID 160896103
1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione
CID 568388
1,4-dioxacycloheptadecan-2-one
CID 18520727
6,7-dimethyl-1,4,6,7-tetrahydroisochromen-3-one
CID 142006039
1,4,7,10,13,17,20,23,26,29,33,36,39,42,45-pentadecaoxacyclooctatetracontane-14,16,30,32,46,48-hexone
CID 11029119
1,5-dioxacycloheptadecane-2,4-dione
CID 11708817
1,3,5,7-tetraoxecane-8,10-dione
CID 129027461
1,5-dioxecane-2,4-dione
CID 11708136
1,5,29,33-tetraoxacyclohexapentacontane-2,4,30,32-tetrone
CID 102188033
1,3,7-trioxecane-4,6,8,10-tetrone
CID 58502714
1,4-dioxepan-2-one;ethane
CID 91368982

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)oxolan-2-one?
The IUPAC name of (4E)-4-(fluoromethylidene)oxolan-2-one (CID 154552719) is (4E)-4-(fluoromethylidene)oxolan-2-one.
What is the SMILES notation for (4E)-4-(fluoromethylidene)oxolan-2-one?
The canonical SMILES for (4E)-4-(fluoromethylidene)oxolan-2-one is O=C1C/C(=C\F)CO1.
What is the InChIKey of (4E)-4-(fluoromethylidene)oxolan-2-one?
The InChIKey is SIZWEUQCTPTGEC-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H5FO2/c6-2-4-1-5(7)8-3-4/h2H,1,3H2/b4-2+.
What are the key properties of (4E)-4-(fluoromethylidene)oxolan-2-one?
(4E)-4-(fluoromethylidene)oxolan-2-one has a molecular weight of 116.09 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)oxolan-2-one is sourced from PubChem (CID 154552719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).