(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one

C12H11FO — CID 116532637

IUPAC(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
SMILESCC(=O)/C=C1/CCc2cc(F)ccc21
InChIInChI=1S/C12H11FO/c1-8(14)6-9-2-3-10-7-11(13)4-5-12(9)10/h4-7H,2-3H2,1H3/b9-6-
InChIKeyKGAXEOJQCGNURV-TWGQIWQCSA-N
MW190.22 g/mol
LogP2.74
Rot. Bonds1

About (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one

(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one (PubChem CID 116532637) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
PubChem CID116532637
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
SMILESCC(=O)/C=C1/CCc2cc(F)ccc21
InChIInChI=1S/C12H11FO/c1-8(14)6-9-2-3-10-7-11(13)4-5-12(9)10/h4-7H,2-3H2,1H3/b9-6-
InChIKeyKGAXEOJQCGNURV-TWGQIWQCSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
CID 23293571
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)propanoic acid
CID 116531411
(1E)-1-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]propan-2-one
CID 59150258
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate
CID 54234505
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
CID 19833131
5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
CID 6540038
ethane;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 144695730
4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline
CID 68961822
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
(2Z)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N,N-dimethylacetamide
CID 70261136

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one?
The IUPAC name of (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one (CID 116532637) is (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one.
What is the SMILES notation for (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one?
The canonical SMILES for (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one is CC(=O)/C=C1/CCc2cc(F)ccc21.
What is the InChIKey of (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one?
The InChIKey is KGAXEOJQCGNURV-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H11FO/c1-8(14)6-9-2-3-10-7-11(13)4-5-12(9)10/h4-7H,2-3H2,1H3/b9-6-.
What are the key properties of (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one?
(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one has a molecular weight of 190.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one is sourced from PubChem (CID 116532637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).