1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride

C8H14ClF2N — CID 126845339

IUPAC1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride
SMILESCCC1C(F)(F)C12CCNC2.Cl
InChIInChI=1S/C8H13F2N.ClH/c1-2-6-7(8(6,9)10)3-4-11-5-7;/h6,11H,2-5H2,1H3;1H
InChIKeyOMNHANLDKFJVIW-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.06
Rot. Bonds1

About 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride

1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride (PubChem CID 126845339) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride.

Molecular Properties

Compound Name1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride
PubChem CID126845339
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride
SMILESCCC1C(F)(F)C12CCNC2.Cl
InChIInChI=1S/C8H13F2N.ClH/c1-2-6-7(8(6,9)10)3-4-11-5-7;/h6,11H,2-5H2,1H3;1H
InChIKeyOMNHANLDKFJVIW-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride 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 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride?
The IUPAC name of 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride (CID 126845339) is 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride.
What is the SMILES notation for 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride?
The canonical SMILES for 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride is CCC1C(F)(F)C12CCNC2.Cl.
What is the InChIKey of 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride?
The InChIKey is OMNHANLDKFJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c1-2-6-7(8(6,9)10)3-4-11-5-7;/h6,11H,2-5H2,1H3;1H.
What are the key properties of 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride?
1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride is sourced from PubChem (CID 126845339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).