2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane

C11H17F2N — CID 163675783

IUPAC2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
SMILESC=C(C)C1N(C)CCCC12CC2(F)F
InChIInChI=1S/C11H17F2N/c1-8(2)9-10(7-11(10,12)13)5-4-6-14(9)3/h9H,1,4-7H2,2-3H3
InChIKeyJGOLAMGDPATJOH-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.68
Rot. Bonds1

About 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane

2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane (PubChem CID 163675783) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
PubChem CID163675783
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
SMILESC=C(C)C1N(C)CCCC12CC2(F)F
InChIInChI=1S/C11H17F2N/c1-8(2)9-10(7-11(10,12)13)5-4-6-14(9)3/h9H,1,4-7H2,2-3H3
InChIKeyJGOLAMGDPATJOH-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane (CID 163675783) is 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane is C=C(C)C1N(C)CCCC12CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane?
The InChIKey is JGOLAMGDPATJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8(2)9-10(7-11(10,12)13)5-4-6-14(9)3/h9H,1,4-7H2,2-3H3.
What are the key properties of 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane?
2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane has a molecular weight of 201.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane is sourced from PubChem (CID 163675783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).