2,2-difluoro-N-methylspiro[3.3]heptan-6-amine

C8H13F2N — CID 155016721

IUPAC2,2-difluoro-N-methylspiro[3.3]heptan-6-amine
SMILESCNC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C8H13F2N/c1-11-6-2-7(3-6)4-8(9,10)5-7/h6,11H,2-5H2,1H3
InChIKeyYPNFTHDBTNYSJO-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.78
Rot. Bonds1

About 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine

2,2-difluoro-N-methylspiro[3.3]heptan-6-amine (PubChem CID 155016721) has the molecular formula C8H13F2N and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methylspiro[3.3]heptan-6-amine
PubChem CID155016721
Molecular FormulaC8H13F2N
Molecular Weight161.20 g/mol
Exact Mass161.10
IUPAC Name2,2-difluoro-N-methylspiro[3.3]heptan-6-amine
SMILESCNC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C8H13F2N/c1-11-6-2-7(3-6)4-8(9,10)5-7/h6,11H,2-5H2,1H3
InChIKeyYPNFTHDBTNYSJO-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine 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-N-methylspiro[3.3]heptan-6-amine?
The IUPAC name of 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine (CID 155016721) is 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine.
What is the SMILES notation for 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine?
The canonical SMILES for 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine is CNC1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine?
The InChIKey is YPNFTHDBTNYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-11-6-2-7(3-6)4-8(9,10)5-7/h6,11H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine?
2,2-difluoro-N-methylspiro[3.3]heptan-6-amine has a molecular weight of 161.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methylspiro[3.3]heptan-6-amine is sourced from PubChem (CID 155016721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).