N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine

C10H18F2N2 — CID 118974449

IUPACN-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine
SMILESCN1CC2(CC(N(C)CC(F)F)C2)C1
InChIInChI=1S/C10H18F2N2/c1-13-6-10(7-13)3-8(4-10)14(2)5-9(11)12/h8-9H,3-7H2,1-2H3
InChIKeyGDYOLLMIEGAVMT-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.28
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine

N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine (PubChem CID 118974449) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine
PubChem CID118974449
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC NameN-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine
SMILESCN1CC2(CC(N(C)CC(F)F)C2)C1
InChIInChI=1S/C10H18F2N2/c1-13-6-10(7-13)3-8(4-10)14(2)5-9(11)12/h8-9H,3-7H2,1-2H3
InChIKeyGDYOLLMIEGAVMT-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine (CID 118974449) is N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine is CN1CC2(CC(N(C)CC(F)F)C2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is GDYOLLMIEGAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-13-6-10(7-13)3-8(4-10)14(2)5-9(11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine?
N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 204.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 118974449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).