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

C9H13F2N — CID 165053246

IUPAC7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=C(C)C12N(C)CCC2(F)F
InChIInChI=1S/C9H13F2N/c1-6-7(2)9(6)8(10,11)4-5-12(9)3/h4-5H2,1-3H3
InChIKeyVSMQGNYDASKSPF-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.05
Rot. Bonds

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

7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene (PubChem CID 165053246) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene
PubChem CID165053246
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=C(C)C12N(C)CCC2(F)F
InChIInChI=1S/C9H13F2N/c1-6-7(2)9(6)8(10,11)4-5-12(9)3/h4-5H2,1-3H3
InChIKeyVSMQGNYDASKSPF-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.05
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

7,7-Difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
CID 146640283
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine
CID 172288850
1-Tert-butyl-4-(difluoromethylidene)-2,2-dimethylpyrrolidine
CID 176294911
4-(Difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
CID 176919360
(2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
CID 176950949
7-(Difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane
CID 178101243
7,7-Difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene
CID 165053244
(3R)-7,7-difluoro-2,4-dimethyl-4-azaspiro[2.4]hept-1-ene
CID 165096781
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane
CID 176919390
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane
CID 176919475

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene?
The IUPAC name of 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene (CID 165053246) is 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene.
What is the SMILES notation for 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene?
The canonical SMILES for 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene is CC1=C(C)C12N(C)CCC2(F)F.
What is the InChIKey of 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene?
The InChIKey is VSMQGNYDASKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c1-6-7(2)9(6)8(10,11)4-5-12(9)3/h4-5H2,1-3H3.
What are the key properties of 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene?
7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene has a molecular weight of 173.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene is sourced from PubChem (CID 165053246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).