2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine

C10H18F2N2O — CID 114384589

IUPAC2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine
SMILESNCC(F)(F)CN1CC2(CCOCC2)C1
InChIInChI=1S/C10H18F2N2O/c11-10(12,5-13)8-14-6-9(7-14)1-3-15-4-2-9/h1-8,13H2
InChIKeyJZUHWWRAHNWUOX-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.69
Rot. Bonds3

About 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine

2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine (PubChem CID 114384589) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine
PubChem CID114384589
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine
SMILESNCC(F)(F)CN1CC2(CCOCC2)C1
InChIInChI=1S/C10H18F2N2O/c11-10(12,5-13)8-14-6-9(7-14)1-3-15-4-2-9/h1-8,13H2
InChIKeyJZUHWWRAHNWUOX-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine (CID 114384589) is 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine is NCC(F)(F)CN1CC2(CCOCC2)C1.
What is the InChIKey of 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine?
The InChIKey is JZUHWWRAHNWUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c11-10(12,5-13)8-14-6-9(7-14)1-3-15-4-2-9/h1-8,13H2.
What are the key properties of 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine?
2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine has a molecular weight of 220.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine is sourced from PubChem (CID 114384589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).