ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one

C16H19FO — CID 21433676

IUPACethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
SMILESC=C.O=C1CCC2(CC1)Cc1cccc(F)c1C2
InChIInChI=1S/C14H15FO.C2H4/c15-13-3-1-2-10-8-14(9-12(10)13)6-4-11(16)5-7-14;1-2/h1-3H,4-9H2;1-2H2
InChIKeyHHMJIJHBXVQUJX-UHFFFAOYSA-N
MW246.32 g/mol
LogP3.86
Rot. Bonds

About ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one

ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one (PubChem CID 21433676) has the molecular formula C16H19FO and a molecular weight of 246.32 g/mol. Its IUPAC name is ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one.

Molecular Properties

Compound Nameethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
PubChem CID21433676
Molecular FormulaC16H19FO
Molecular Weight246.32 g/mol
Exact Mass246.14
IUPAC Nameethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
SMILESC=C.O=C1CCC2(CC1)Cc1cccc(F)c1C2
InChIInChI=1S/C14H15FO.C2H4/c15-13-3-1-2-10-8-14(9-12(10)13)6-4-11(16)5-7-14;1-2/h1-3H,4-9H2;1-2H2
InChIKeyHHMJIJHBXVQUJX-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The IUPAC name of ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one (CID 21433676) is ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one.
What is the SMILES notation for ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The canonical SMILES for ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one is C=C.O=C1CCC2(CC1)Cc1cccc(F)c1C2.
What is the InChIKey of ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The InChIKey is HHMJIJHBXVQUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO.C2H4/c15-13-3-1-2-10-8-14(9-12(10)13)6-4-11(16)5-7-14;1-2/h1-3H,4-9H2;1-2H2.
What are the key properties of ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one has a molecular weight of 246.32 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one is sourced from PubChem (CID 21433676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).