2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

C10H17F2NOS — CID 103516939

IUPAC2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C10H17F2NOS/c11-9(12)8(13)7-1-3-14-10(5-7)2-4-15-6-10/h7-9H,1-6,13H2
InChIKeyGBGULIAUHNJHEL-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.88
Rot. Bonds2

About 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 103516939) has the molecular formula C10H17F2NOS and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
PubChem CID103516939
Molecular FormulaC10H17F2NOS
Molecular Weight237.31 g/mol
Exact Mass237.10
IUPAC Name2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C10H17F2NOS/c11-9(12)8(13)7-1-3-14-10(5-7)2-4-15-6-10/h7-9H,1-6,13H2
InChIKeyGBGULIAUHNJHEL-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
CID 116718432
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
(2-methyloxolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017875
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 116726119
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
(3-bromo-5-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79912132
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79915094
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (CID 103516939) is 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is NC(C(F)F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is GBGULIAUHNJHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NOS/c11-9(12)8(13)7-1-3-14-10(5-7)2-4-15-6-10/h7-9H,1-6,13H2.
What are the key properties of 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 237.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 103516939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).