7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane

C9H13F2N — CID 178101243

IUPAC7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane
SMILESCN1CC(=C(F)F)CC12CCC2
InChIInChI=1S/C9H13F2N/c1-12-6-7(8(10)11)5-9(12)3-2-4-9/h2-6H2,1H3
InChIKeyLKKBNSOFZDJEIW-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.40
Rot. Bonds

About 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane

7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane (PubChem CID 178101243) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane
PubChem CID178101243
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane
SMILESCN1CC(=C(F)F)CC12CCC2
InChIInChI=1S/C9H13F2N/c1-12-6-7(8(10)11)5-9(12)3-2-4-9/h2-6H2,1H3
InChIKeyLKKBNSOFZDJEIW-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine
CID 172288850
1-Tert-butyl-4-(difluoromethylidene)-2,2-dimethylpyrrolidine
CID 176294911
(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
CID 176919337
4-(Difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
CID 176919360
(4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
CID 176919814
3-(Difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 177054012
4-(Difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 177054056
(2R)-4-(difluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 178101452
(7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane
CID 178101635
(7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane
CID 178101728
(2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine
CID 178101737

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane?
The IUPAC name of 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane (CID 178101243) is 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane.
What is the SMILES notation for 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane?
The canonical SMILES for 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane is CN1CC(=C(F)F)CC12CCC2.
What is the InChIKey of 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane?
The InChIKey is LKKBNSOFZDJEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c1-12-6-7(8(10)11)5-9(12)3-2-4-9/h2-6H2,1H3.
What are the key properties of 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane?
7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane has a molecular weight of 173.21 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethylidene)-5-methyl-5-azaspiro[3.4]octane is sourced from PubChem (CID 178101243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).