3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one

C9H12F2N2O — CID 139371875

IUPAC3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESO=C1NCC=CCC12CC(F)(F)CN2
InChIInChI=1S/C9H12F2N2O/c10-9(11)5-8(13-6-9)3-1-2-4-12-7(8)14/h1-2,13H,3-6H2,(H,12,14)
InChIKeySHYIWWDIHIUYQH-UHFFFAOYSA-N
MW202.20 g/mol
LogP0.43
Rot. Bonds

About 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one

3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one (PubChem CID 139371875) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one.

Molecular Properties

Compound Name3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one
PubChem CID139371875
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESO=C1NCC=CCC12CC(F)(F)CN2
InChIInChI=1S/C9H12F2N2O/c10-9(11)5-8(13-6-9)3-1-2-4-12-7(8)14/h1-2,13H,3-6H2,(H,12,14)
InChIKeySHYIWWDIHIUYQH-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide
CID 70335154
Tert-butyl 3,3-difluoro-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371742
1,10-Diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde
CID 139371919
1-(2,2,2-Trifluoroacetyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371920
(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
CID 156837616
(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106975871
(2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489932
(2-ethylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489942
1,10-Diazaspiro[4.6]undec-7-en-11-one
CID 86063184
10-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 86063202
(5R)-1,7-diazaspiro[4.6]undec-9-en-6-one
CID 131135967

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one?
The IUPAC name of 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one (CID 139371875) is 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one.
What is the SMILES notation for 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one?
The canonical SMILES for 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one is O=C1NCC=CCC12CC(F)(F)CN2.
What is the InChIKey of 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one?
The InChIKey is SHYIWWDIHIUYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)5-8(13-6-9)3-1-2-4-12-7(8)14/h1-2,13H,3-6H2,(H,12,14).
What are the key properties of 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one?
3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one has a molecular weight of 202.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one is sourced from PubChem (CID 139371875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).