(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one

C10H7FO2 — CID 173370903

IUPAC(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one
SMILESC/C=C1\OC(=O)c2ccc(F)cc21
InChIInChI=1S/C10H7FO2/c1-2-9-8-5-6(11)3-4-7(8)10(12)13-9/h2-5H,1H3/b9-2-
InChIKeyWIJBYZHEQZBNSF-MBXJOHMKSA-N
MW178.16 g/mol
LogP2.36
Rot. Bonds

About (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one

(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one (PubChem CID 173370903) has the molecular formula C10H7FO2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one
PubChem CID173370903
Molecular FormulaC10H7FO2
Molecular Weight178.16 g/mol
Exact Mass178.04
IUPAC Name(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one
SMILESC/C=C1\OC(=O)c2ccc(F)cc21
InChIInChI=1S/C10H7FO2/c1-2-9-8-5-6(11)3-4-7(8)10(12)13-9/h2-5H,1H3/b9-2-
InChIKeyWIJBYZHEQZBNSF-MBXJOHMKSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-benzofuran-1,3-dione
CID 159746884
(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione
CID 144910651
7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
CID 102202796
6,14,22,30,38,46-hexafluoro-2,10,18,26,34,42-hexaoxaheptacyclo[42.4.0.04,9.012,17.020,25.028,33.036,41]octatetraconta-1(44),4(9),5,7,12(17),13,15,20(25),21,23,28(33),29,31,36(41),37,39,45,47-octadecaene-3,11,19,27,35,43-hexone
CID 102408059
7-fluoro-4,4-dimethylisochromene-1,3-dione
CID 21428655
(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one
CID 15892031
N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide
CID 172554453
3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one
CID 162538872
benzene;5-fluoroisoindole-1,3-dione
CID 174849792
N-[5-[[(2Z)-2-(6-fluoro-3-oxo-2-benzofuran-1-ylidene)ethoxy]methyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
CID 162659493
acetaldehyde;1,3-difluorobenzene
CID 160854263
2-benzofuran-1,3-dione;ethane;molecular iodine
CID 160781594

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one (CID 173370903) is (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one is C/C=C1\OC(=O)c2ccc(F)cc21.
What is the InChIKey of (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one?
The InChIKey is WIJBYZHEQZBNSF-MBXJOHMKSA-N. The full InChI is InChI=1S/C10H7FO2/c1-2-9-8-5-6(11)3-4-7(8)10(12)13-9/h2-5H,1H3/b9-2-.
What are the key properties of (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one?
(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one has a molecular weight of 178.16 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one is sourced from PubChem (CID 173370903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).