(7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane

C10H16FN — CID 178101635

IUPAC(7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane
SMILESCC1CC2(C/C(=C\F)CN2C)C1
InChIInChI=1S/C10H16FN/c1-8-3-10(4-8)5-9(6-11)7-12(10)2/h6,8H,3-5,7H2,1-2H3/b9-6+
InChIKeyNKTGKUNBMQGWPI-RMKNXTFCSA-N
MW169.24 g/mol
LogP2.34
Rot. Bonds

About (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane

(7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane (PubChem CID 178101635) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane
PubChem CID178101635
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane
SMILESCC1CC2(C/C(=C\F)CN2C)C1
InChIInChI=1S/C10H16FN/c1-8-3-10(4-8)5-9(6-11)7-12(10)2/h6,8H,3-5,7H2,1-2H3/b9-6+
InChIKeyNKTGKUNBMQGWPI-RMKNXTFCSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 162730758
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840
(6E)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977864
2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977865
(4E)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 164062077
(4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 166984290
2-Ethyl-2-(1-fluoroethenyl)-1-methylpyrrolidine
CID 169130391
(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170073257
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
(2R,8R)-2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172287839
(2S,8R)-2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172288443
(2R,8S)-2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172288854

Frequently Asked Questions

What is the IUPAC name of (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane?
The IUPAC name of (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane (CID 178101635) is (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane.
What is the SMILES notation for (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane?
The canonical SMILES for (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane is CC1CC2(C/C(=C\F)CN2C)C1.
What is the InChIKey of (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane?
The InChIKey is NKTGKUNBMQGWPI-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16FN/c1-8-3-10(4-8)5-9(6-11)7-12(10)2/h6,8H,3-5,7H2,1-2H3/b9-6+.
What are the key properties of (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane?
(7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane has a molecular weight of 169.24 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane is sourced from PubChem (CID 178101635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).