2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene

C12H20FN — CID 177162192

IUPAC2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2)CC1F
InChIInChI=1S/C12H20FN/c1-9-10(2)12(8-11(9)13)4-6-14(3)7-5-12/h11H,4-8H2,1-3H3
InChIKeyMIKLYOQFNBBHRG-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.78
Rot. Bonds

About 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene

2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene (PubChem CID 177162192) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
PubChem CID177162192
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2)CC1F
InChIInChI=1S/C12H20FN/c1-9-10(2)12(8-11(9)13)4-6-14(3)7-5-12/h11H,4-8H2,1-3H3
InChIKeyMIKLYOQFNBBHRG-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-Fluorocyclohexyl)ethylidene]-1-methylpiperidine
CID 145860036
6-Fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829614
2-Fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829939
10-Fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176830002
(3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine
CID 176919471
(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
CID 177161653
6-Fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene
CID 177161789
9-Fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 177162403
(3'R,4S)-3'-fluoro-1',2,3-trimethylspiro[bicyclo[3.1.0]hex-2-ene-4,4'-piperidine]
CID 177162508
10-Fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
CID 177162805
(3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine
CID 178101835
(3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine
CID 178181826

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene (CID 177162192) is 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene is CC1=C(C)C2(CCN(C)CC2)CC1F.
What is the InChIKey of 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The InChIKey is MIKLYOQFNBBHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-9-10(2)12(8-11(9)13)4-6-14(3)7-5-12/h11H,4-8H2,1-3H3.
What are the key properties of 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene has a molecular weight of 197.30 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 177162192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).