1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine

C12H22F2N2 — CID 163295402

IUPAC1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine
SMILESCC(F)(F)CN1CCCC12CCC(N)CC2
InChIInChI=1S/C12H22F2N2/c1-11(13,14)9-16-8-2-5-12(16)6-3-10(15)4-7-12/h10H,2-9,15H2,1H3
InChIKeyJTIXGMFMWJUSMG-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.38
Rot. Bonds2

About 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine

1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine (PubChem CID 163295402) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine
PubChem CID163295402
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine
SMILESCC(F)(F)CN1CCCC12CCC(N)CC2
InChIInChI=1S/C12H22F2N2/c1-11(13,14)9-16-8-2-5-12(16)6-3-10(15)4-7-12/h10H,2-9,15H2,1H3
InChIKeyJTIXGMFMWJUSMG-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine?
The IUPAC name of 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine (CID 163295402) is 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine is CC(F)(F)CN1CCCC12CCC(N)CC2.
What is the InChIKey of 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine?
The InChIKey is JTIXGMFMWJUSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-11(13,14)9-16-8-2-5-12(16)6-3-10(15)4-7-12/h10H,2-9,15H2,1H3.
What are the key properties of 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine?
1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine has a molecular weight of 232.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-1-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 163295402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).