(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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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).