7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane

C9H17F2N — CID 145047466

IUPAC7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane
SMILESCC.CN1CC2(CCC2(F)F)C1
InChIInChI=1S/C7H11F2N.C2H6/c1-10-4-6(5-10)2-3-7(6,8)9;1-2/h2-5H2,1H3;1-2H3
InChIKeyWSDFTUXAMSVYIV-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds

About 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane

7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane (PubChem CID 145047466) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane
PubChem CID145047466
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane
SMILESCC.CN1CC2(CCC2(F)F)C1
InChIInChI=1S/C7H11F2N.C2H6/c1-10-4-6(5-10)2-3-7(6,8)9;1-2/h2-5H2,1H3;1-2H3
InChIKeyWSDFTUXAMSVYIV-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane?
The IUPAC name of 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane (CID 145047466) is 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane.
What is the SMILES notation for 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane?
The canonical SMILES for 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane is CC.CN1CC2(CCC2(F)F)C1.
What is the InChIKey of 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane?
The InChIKey is WSDFTUXAMSVYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.C2H6/c1-10-4-6(5-10)2-3-7(6,8)9;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane?
7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane has a molecular weight of 177.24 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane;ethane is sourced from PubChem (CID 145047466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).