(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene

C13H20FN — CID 177161653

IUPAC(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2)C/C1=C\F
InChIInChI=1S/C13H20FN/c1-10-11(2)13(8-12(10)9-14)4-6-15(3)7-5-13/h9H,4-8H2,1-3H3/b12-9+
InChIKeyMHJDHOUJEKNODS-FMIVXFBMSA-N
MW209.31 g/mol
LogP3.29
Rot. Bonds

About (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene

(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene (PubChem CID 177161653) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
PubChem CID177161653
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2)C/C1=C\F
InChIInChI=1S/C13H20FN/c1-10-11(2)13(8-12(10)9-14)4-6-15(3)7-5-13/h9H,4-8H2,1-3H3/b12-9+
InChIKeyMHJDHOUJEKNODS-FMIVXFBMSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
4-(2-Fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine
CID 130238797
(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane
CID 130371386
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
CID 134365607
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-1-methylpiperidine
CID 134365673
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine
CID 142044686
3-[(3E,5Z)-3,7-difluorohepta-3,5-dienyl]-1-methylpiperidine
CID 144302448

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene (CID 177161653) is (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene is CC1=C(C)C2(CCN(C)CC2)C/C1=C\F.
What is the InChIKey of (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The InChIKey is MHJDHOUJEKNODS-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H20FN/c1-10-11(2)13(8-12(10)9-14)4-6-15(3)7-5-13/h9H,4-8H2,1-3H3/b12-9+.
What are the key properties of (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene has a molecular weight of 209.31 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 177161653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).