2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

C10H17F2NO — CID 103516870

IUPAC2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C10H17F2NO/c11-9(12)8(13)7-2-5-14-10(6-7)3-1-4-10/h7-9H,1-6,13H2
InChIKeyAUTWGTMDSNFROH-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.93
Rot. Bonds2

About 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 103516870) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID103516870
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C10H17F2NO/c11-9(12)8(13)7-2-5-14-10(6-7)3-1-4-10/h7-9H,1-6,13H2
InChIKeyAUTWGTMDSNFROH-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
CID 97050508
2,2-difluoro-1-(oxan-4-yl)ethanamine
CID 80604527
2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 116723029
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010294
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312575

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (CID 103516870) is 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is NC(C(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is AUTWGTMDSNFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-9(12)8(13)7-2-5-14-10(6-7)3-1-4-10/h7-9H,1-6,13H2.
What are the key properties of 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 205.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 103516870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).