[6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine

C10H18F2N2 — CID 170739955

IUPAC[6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine
SMILESNCC1CC2(CCN(CC(F)F)C2)C1
InChIInChI=1S/C10H18F2N2/c11-9(12)6-14-2-1-10(7-14)3-8(4-10)5-13/h8-9H,1-7,13H2
InChIKeyPLSHQRWMXOPNCE-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.31
Rot. Bonds3

About [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine

[6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine (PubChem CID 170739955) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine.

Molecular Properties

Compound Name[6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine
PubChem CID170739955
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name[6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine
SMILESNCC1CC2(CCN(CC(F)F)C2)C1
InChIInChI=1S/C10H18F2N2/c11-9(12)6-14-2-1-10(7-14)3-8(4-10)5-13/h8-9H,1-7,13H2
InChIKeyPLSHQRWMXOPNCE-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine?
The IUPAC name of [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine (CID 170739955) is [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine.
What is the SMILES notation for [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine?
The canonical SMILES for [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine is NCC1CC2(CCN(CC(F)F)C2)C1.
What is the InChIKey of [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine?
The InChIKey is PLSHQRWMXOPNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-9(12)6-14-2-1-10(7-14)3-8(4-10)5-13/h8-9H,1-7,13H2.
What are the key properties of [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine?
[6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine has a molecular weight of 204.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-difluoroethyl)-6-azaspiro[3.4]octan-2-yl]methanamine is sourced from PubChem (CID 170739955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).