1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one

C12H15FO2 — CID 162428082

IUPAC1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one
SMILESC/C=c1/cc(C(=O)CC)o/c1=C(\F)CC
InChIInChI=1S/C12H15FO2/c1-4-8-7-11(10(14)6-3)15-12(8)9(13)5-2/h4,7H,5-6H2,1-3H3/b8-4-,12-9-
InChIKeyANUNVVQEVWBREW-VRQBRSSMSA-N
MW210.25 g/mol
LogP2.16
Rot. Bonds3

About 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one

1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one (PubChem CID 162428082) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one
PubChem CID162428082
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one
SMILESC/C=c1/cc(C(=O)CC)o/c1=C(\F)CC
InChIInChI=1S/C12H15FO2/c1-4-8-7-11(10(14)6-3)15-12(8)9(13)5-2/h4,7H,5-6H2,1-3H3/b8-4-,12-9-
InChIKeyANUNVVQEVWBREW-VRQBRSSMSA-N
XLogP2.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-5-(prop-1-en-2-yl)furan-3(2H)-one
CID 327179
2,2-Dimethyl-5-(1-propenyl)-3(2H)-furanone
CID 6440085
1-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxy-4-methylpent-3-en-2-one
CID 117611428
1-(2-Fluoropenta-1,3-dien-3-yloxy)-4-methylpent-3-en-2-one
CID 123601012
(3E)-1-ethoxy-5-fluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-one
CID 142549707
1-(7-Fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone
CID 167020813
5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one
CID 11062763
2,4-Dimethoxy-3-methyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 54290030
(E)-5-methoxy-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]oxyhex-4-en-2-one
CID 88064442
1-(4,5-Dimethylidenefuran-2-yl)ethanone
CID 123161166
5-Methoxy-3-methylidene-1-penta-1,3-dien-2-yloxyhex-4-en-2-one
CID 123648107
1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone
CID 126594024

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one?
The IUPAC name of 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one (CID 162428082) is 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one?
The canonical SMILES for 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one is C/C=c1/cc(C(=O)CC)o/c1=C(\F)CC.
What is the InChIKey of 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one?
The InChIKey is ANUNVVQEVWBREW-VRQBRSSMSA-N. The full InChI is InChI=1S/C12H15FO2/c1-4-8-7-11(10(14)6-3)15-12(8)9(13)5-2/h4,7H,5-6H2,1-3H3/b8-4-,12-9-.
What are the key properties of 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one?
1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one has a molecular weight of 210.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one is sourced from PubChem (CID 162428082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).