N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide

C7H12F3NOS — CID 130165694

IUPACN-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide
SMILESCCSCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NOS/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyFNOXOQJTAIYCBR-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.81
Rot. Bonds5

About N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide

N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide (PubChem CID 130165694) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide
PubChem CID130165694
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC NameN-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide
SMILESCCSCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NOS/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyFNOXOQJTAIYCBR-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.81
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

2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
CID 172843562
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
2,2,2-trifluoro-N-(5-methylheptyl)acetamide
CID 143979183
N-(3-ethylsulfanylpropyl)octadecanamide
CID 140994811
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
CID 150813708

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide (CID 130165694) is N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide is CCSCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide?
The InChIKey is FNOXOQJTAIYCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12).
What are the key properties of N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide?
N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide has a molecular weight of 215.24 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130165694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).