(3R)-2,2-difluoro-5-azaspiro[2.4]heptane

C6H9F2N — CID 86317198

IUPAC(3R)-2,2-difluoro-5-azaspiro[2.4]heptane
SMILESFC1(F)C[C@@]12CCNC2
InChIInChI=1S/C6H9F2N/c7-6(8)3-5(6)1-2-9-4-5/h9H,1-4H2/t5-/m1/s1
InChIKeyAMKKJOJODSUMDI-RXMQYKEDSA-N
MW133.14 g/mol
LogP1.01
Rot. Bonds

About (3R)-2,2-difluoro-5-azaspiro[2.4]heptane

(3R)-2,2-difluoro-5-azaspiro[2.4]heptane (PubChem CID 86317198) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is (3R)-2,2-difluoro-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(3R)-2,2-difluoro-5-azaspiro[2.4]heptane
PubChem CID86317198
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name(3R)-2,2-difluoro-5-azaspiro[2.4]heptane
SMILESFC1(F)C[C@@]12CCNC2
InChIInChI=1S/C6H9F2N/c7-6(8)3-5(6)1-2-9-4-5/h9H,1-4H2/t5-/m1/s1
InChIKeyAMKKJOJODSUMDI-RXMQYKEDSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-5-azaspiro[2.4]heptane?
The IUPAC name of (3R)-2,2-difluoro-5-azaspiro[2.4]heptane (CID 86317198) is (3R)-2,2-difluoro-5-azaspiro[2.4]heptane.
What is the SMILES notation for (3R)-2,2-difluoro-5-azaspiro[2.4]heptane?
The canonical SMILES for (3R)-2,2-difluoro-5-azaspiro[2.4]heptane is FC1(F)C[C@@]12CCNC2.
What is the InChIKey of (3R)-2,2-difluoro-5-azaspiro[2.4]heptane?
The InChIKey is AMKKJOJODSUMDI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)3-5(6)1-2-9-4-5/h9H,1-4H2/t5-/m1/s1.
What are the key properties of (3R)-2,2-difluoro-5-azaspiro[2.4]heptane?
(3R)-2,2-difluoro-5-azaspiro[2.4]heptane has a molecular weight of 133.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-5-azaspiro[2.4]heptane is sourced from PubChem (CID 86317198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).