4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one

C15H16FNO2 — CID 134935377

IUPAC4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(CCCCC2)C(Nc2ccccc2)=C1F
InChIInChI=1S/C15H16FNO2/c16-12-13(17-11-7-3-1-4-8-11)15(19-14(12)18)9-5-2-6-10-15/h1,3-4,7-8,17H,2,5-6,9-10H2
InChIKeyYWYKBZLCVNKCLU-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.54
Rot. Bonds2

About 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one

4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 134935377) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID134935377
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(CCCCC2)C(Nc2ccccc2)=C1F
InChIInChI=1S/C15H16FNO2/c16-12-13(17-11-7-3-1-4-8-11)15(19-14(12)18)9-5-2-6-10-15/h1,3-4,7-8,17H,2,5-6,9-10H2
InChIKeyYWYKBZLCVNKCLU-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Anilinofuran-2(5H)-one
CID 89645
ethyl (Z)-3-(4-fluoroanilino)-3-phenylprop-2-enoate
CID 102036367
4-[4-(4-Fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one
CID 591574
4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
CID 134935376
4-Anilino-5,5-dimethylfuran-2-one
CID 10442869
tert-butyl (Z)-3-anilinobut-2-enoate
CID 21577411
3-(4-Fluoroanilino)-7a-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
CID 155806490
ethyl (Z)-3-(3-fluoroanilino)-3-phenylprop-2-enoate
CID 21765573
3-[3-(trifluoromethyl)anilino]-2H-furan-5-one
CID 54242617
3-[4-(trifluoromethyl)anilino]-2H-furan-5-one
CID 54510618
methyl (E)-4-propan-2-yloxy-3-[3-(trifluoromethyl)anilino]but-2-enoate
CID 58922411
ethyl (E)-4-prop-2-enoxy-3-[3-(trifluoromethyl)anilino]but-2-enoate
CID 58922479

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one (CID 134935377) is 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one is O=C1OC2(CCCCC2)C(Nc2ccccc2)=C1F.
What is the InChIKey of 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is YWYKBZLCVNKCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-12-13(17-11-7-3-1-4-8-11)15(19-14(12)18)9-5-2-6-10-15/h1,3-4,7-8,17H,2,5-6,9-10H2.
What are the key properties of 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one?
4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 261.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 134935377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).