3-[(trifluoromethoxysulfinylamino)methyl]nonane

C11H22F3NO2S — CID 54306790

IUPAC3-[(trifluoromethoxysulfinylamino)methyl]nonane
SMILESCCCCCCC(CC)CNS(=O)OC(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-3-5-6-7-8-10(4-2)9-15-18(16)17-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyMVZVGMWJZQOEFQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.69
Rot. Bonds10

About 3-[(trifluoromethoxysulfinylamino)methyl]nonane

3-[(trifluoromethoxysulfinylamino)methyl]nonane (PubChem CID 54306790) has the molecular formula C11H22F3NO2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[(trifluoromethoxysulfinylamino)methyl]nonane.

Molecular Properties

Compound Name3-[(trifluoromethoxysulfinylamino)methyl]nonane
PubChem CID54306790
Molecular FormulaC11H22F3NO2S
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC Name3-[(trifluoromethoxysulfinylamino)methyl]nonane
SMILESCCCCCCC(CC)CNS(=O)OC(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-3-5-6-7-8-10(4-2)9-15-18(16)17-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyMVZVGMWJZQOEFQ-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-9-[(sulfinatoamino)methyl]tridecane
CID 54395500
11,11-Difluoro-4-methylundecan-1-amine
CID 88105431
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
4-(Trifluoromethyl)decan-1-amine
CID 151328891
3-(Trifluoromethyl)decan-1-amine
CID 152420926
5-Ethyl-10,10,10-trifluoro-7-methyldecan-1-amine
CID 172565220
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-9-[(sulfinoamino)methyl]tridecane
CID 54395501
3-(Trifluoromethyl)nonan-1-amine
CID 82534814
3-(Trifluoromethyl)octan-1-amine
CID 82534819
2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114145477
4-[(Sulfinatoamino)methyl]nonane
CID 57421731
3,7-Dimethyl-1-(sulfinatoamino)octane
CID 57421747

Frequently Asked Questions

What is the IUPAC name of 3-[(trifluoromethoxysulfinylamino)methyl]nonane?
The IUPAC name of 3-[(trifluoromethoxysulfinylamino)methyl]nonane (CID 54306790) is 3-[(trifluoromethoxysulfinylamino)methyl]nonane.
What is the SMILES notation for 3-[(trifluoromethoxysulfinylamino)methyl]nonane?
The canonical SMILES for 3-[(trifluoromethoxysulfinylamino)methyl]nonane is CCCCCCC(CC)CNS(=O)OC(F)(F)F.
What is the InChIKey of 3-[(trifluoromethoxysulfinylamino)methyl]nonane?
The InChIKey is MVZVGMWJZQOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2S/c1-3-5-6-7-8-10(4-2)9-15-18(16)17-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 3-[(trifluoromethoxysulfinylamino)methyl]nonane?
3-[(trifluoromethoxysulfinylamino)methyl]nonane has a molecular weight of 289.36 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(trifluoromethoxysulfinylamino)methyl]nonane is sourced from PubChem (CID 54306790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).