7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene

C8H11F2N — CID 165053244

IUPAC7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=CC12N(C)CCC2(F)F
InChIInChI=1S/C8H11F2N/c1-6-5-7(6)8(9,10)3-4-11(7)2/h5H,3-4H2,1-2H3
InChIKeyLQRMUFDVJHKTQX-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.66
Rot. Bonds

About 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene

7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene (PubChem CID 165053244) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene
PubChem CID165053244
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=CC12N(C)CCC2(F)F
InChIInChI=1S/C8H11F2N/c1-6-5-7(6)8(9,10)3-4-11(7)2/h5H,3-4H2,1-2H3
InChIKeyLQRMUFDVJHKTQX-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.66
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

(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 162414798
7,7-Difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 146640284
2-[(2Z,5Z)-5-[(Z)-1,2-difluoroethenyl]-3-methylnona-2,5-dien-2-yl]-1,2-dimethylpyrrolidine
CID 166651561
8-Ethyl-7-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984255
8-Ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984390
(2R,8S)-2-fluoro-8-propan-2-yl-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
CID 172287808
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 172287810
(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine
CID 172288637
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine
CID 172288850
(2R,8R)-2-fluoro-8-(2-methylpropyl)-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
CID 172289059
(4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine
CID 175612307
(2R,8S)-2-fluoro-6-methyl-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 176776724

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene?
The IUPAC name of 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene (CID 165053244) is 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene.
What is the SMILES notation for 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene?
The canonical SMILES for 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene is CC1=CC12N(C)CCC2(F)F.
What is the InChIKey of 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene?
The InChIKey is LQRMUFDVJHKTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-6-5-7(6)8(9,10)3-4-11(7)2/h5H,3-4H2,1-2H3.
What are the key properties of 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene?
7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene has a molecular weight of 159.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene is sourced from PubChem (CID 165053244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).