3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine

C8H13F2NO — CID 163295588

IUPAC3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine
SMILESNC1CCC2(CC1)OCC2(F)F
InChIInChI=1S/C8H13F2NO/c9-8(10)5-12-7(8)3-1-6(11)2-4-7/h6H,1-5,11H2
InChIKeyNXPPLUBRFHSDLN-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.29
Rot. Bonds

About 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine

3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine (PubChem CID 163295588) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine.

Molecular Properties

Compound Name3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine
PubChem CID163295588
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine
SMILESNC1CCC2(CC1)OCC2(F)F
InChIInChI=1S/C8H13F2NO/c9-8(10)5-12-7(8)3-1-6(11)2-4-7/h6H,1-5,11H2
InChIKeyNXPPLUBRFHSDLN-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxaspiro[3.5]nonan-7-amine
CID 143998206
4-Methoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 71246268
4-Ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 97179628
3-(Trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine
CID 163294962
[3-(Trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium
CID 163294963
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
CID 163295550
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine
CID 163295551
4-(Difluoromethyl)-4-methoxycyclohexan-1-amine
CID 163295995
3,3-Difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane
CID 163296024
4-(2-Aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 167064930
3,3-Difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid
CID 175726820

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine?
The IUPAC name of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine (CID 163295588) is 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine.
What is the SMILES notation for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine?
The canonical SMILES for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine is NC1CCC2(CC1)OCC2(F)F.
What is the InChIKey of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine?
The InChIKey is NXPPLUBRFHSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)5-12-7(8)3-1-6(11)2-4-7/h6H,1-5,11H2.
What are the key properties of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine?
3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine has a molecular weight of 177.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 163295588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).