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

C7H11F2N — CID 118974388

IUPAC7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CCC2(F)F)C1
InChIInChI=1S/C7H11F2N/c1-10-4-6(5-10)2-3-7(6,8)9/h2-5H2,1H3
InChIKeySEJUTXOVEUGCMT-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.35
Rot. Bonds

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

7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane (PubChem CID 118974388) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane
PubChem CID118974388
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CCC2(F)F)C1
InChIInChI=1S/C7H11F2N/c1-10-4-6(5-10)2-3-7(6,8)9/h2-5H2,1H3
InChIKeySEJUTXOVEUGCMT-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.35
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?
The IUPAC name of 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane (CID 118974388) is 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane is CN1CC2(CCC2(F)F)C1.
What is the InChIKey of 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is SEJUTXOVEUGCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-10-4-6(5-10)2-3-7(6,8)9/h2-5H2,1H3.
What are the key properties of 7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane?
7,7-difluoro-2-methyl-2-azaspiro[3.3]heptane has a molecular weight of 147.17 g/mol, XLogP of 1.35, 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 is sourced from PubChem (CID 118974388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).