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

C10H19F2NO — CID 163296024

IUPAC3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane
SMILESCC.NC1CCC2(CC1)OCC2(F)F
InChIInChI=1S/C8H13F2NO.C2H6/c9-8(10)5-12-7(8)3-1-6(11)2-4-7;1-2/h6H,1-5,11H2;1-2H3
InChIKeyGACFVBMLQLXLCY-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.32
Rot. Bonds

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

3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane (PubChem CID 163296024) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane
PubChem CID163296024
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane
SMILESCC.NC1CCC2(CC1)OCC2(F)F
InChIInChI=1S/C8H13F2NO.C2H6/c9-8(10)5-12-7(8)3-1-6(11)2-4-7;1-2/h6H,1-5,11H2;1-2H3
InChIKeyGACFVBMLQLXLCY-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxaspiro[3.5]nonan-7-amine
CID 143998206
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
4-Methoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 71246268
4-Ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 97179628
4-Hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 123640175
4-Amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol
CID 163294779
4-(2-Methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 163294893
4-(2-Methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 163294943
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane?
The IUPAC name of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane (CID 163296024) is 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane.
What is the SMILES notation for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane?
The canonical SMILES for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane is CC.NC1CCC2(CC1)OCC2(F)F.
What is the InChIKey of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane?
The InChIKey is GACFVBMLQLXLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.C2H6/c9-8(10)5-12-7(8)3-1-6(11)2-4-7;1-2/h6H,1-5,11H2;1-2H3.
What are the key properties of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane?
3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane has a molecular weight of 207.26 g/mol, XLogP of 2.32, 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;ethane is sourced from PubChem (CID 163296024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).