4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one

C17H20FNO2 — CID 134935376

IUPAC4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCCN(C1=C(F)C(=O)OC12CCCCC2)c1ccccc1
InChIInChI=1S/C17H20FNO2/c1-2-19(13-9-5-3-6-10-13)15-14(18)16(20)21-17(15)11-7-4-8-12-17/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKeyDFLNMSPDAZCGHF-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.95
Rot. Bonds3

About 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one

4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 134935376) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID134935376
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCCN(C1=C(F)C(=O)OC12CCCCC2)c1ccccc1
InChIInChI=1S/C17H20FNO2/c1-2-19(13-9-5-3-6-10-13)15-14(18)16(20)21-17(15)11-7-4-8-12-17/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKeyDFLNMSPDAZCGHF-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2(5H)Furanone, 3-benzyl-4-(N-(2-(dimethylamino)ethyl)-N-phenylamino)-
CID 54127
4-[4-(4-Fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one
CID 591574
4-Anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
CID 134935377
4-[Benzyl(2,2-difluoroethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977280
4-[Methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977292
5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one
CID 11514271
5-methyl-5-[(N-methylanilino)methyl]furan-2-one
CID 57653148
3-(4-Fluoroanilino)-7a-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
CID 155806490
8-(4-Fluorophenyl)-8-(3-phenylpropyl)-1-oxa-8-azoniaspiro[4.5]dec-3-en-2-one
CID 54254600
[(2E)-2-ethenylpenta-2,4-dienyl] (E)-3-[4-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]prop-2-enoate
CID 145346290
cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 121364930
2-(N-benzylanilino)ethyl (E)-3-aminobut-2-enoate
CID 14819697

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one (CID 134935376) is 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one is CCN(C1=C(F)C(=O)OC12CCCCC2)c1ccccc1.
What is the InChIKey of 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is DFLNMSPDAZCGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-19(13-9-5-3-6-10-13)15-14(18)16(20)21-17(15)11-7-4-8-12-17/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3.
What are the key properties of 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one?
4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 289.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 134935376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).