4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride

C8H16FNOS2 — CID 142449725

IUPAC4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride
SMILESCN(C)CCSSCCCC(=O)F
InChIInChI=1S/C8H16FNOS2/c1-10(2)5-7-13-12-6-3-4-8(9)11/h3-7H2,1-2H3
InChIKeyBOGYXQSVTMSXJO-UHFFFAOYSA-N
MW225.35 g/mol
LogP2.21
Rot. Bonds8

About 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride

4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride (PubChem CID 142449725) has the molecular formula C8H16FNOS2 and a molecular weight of 225.35 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride
PubChem CID142449725
Molecular FormulaC8H16FNOS2
Molecular Weight225.35 g/mol
Exact Mass225.07
IUPAC Name4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride
SMILESCN(C)CCSSCCCC(=O)F
InChIInChI=1S/C8H16FNOS2/c1-10(2)5-7-13-12-6-3-4-8(9)11/h3-7H2,1-2H3
InChIKeyBOGYXQSVTMSXJO-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(dimethylamino)ethyldisulfanyl]-1-phenylpentan-2-one;ethane
CID 159978381
pentanedioyl difluoride
CID 13299233
N-[3-(3-aminopropanoylamino)propyl]-4-[2-(dimethylamino)ethylsulfanyl]butanamide
CID 145262281
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
decanedioyl difluoride
CID 11513974
N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide
CID 21150783
2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
CID 142460671
6-[2-(dimethylamino)ethylsulfanyl]hexanoic acid
CID 57323768
N-[3-(dimethylamino)propyl]-3-(methyldisulfanyl)propanamide
CID 89390385
S-[2-(dimethylamino)ethyl] 3-oxobutanethioate
CID 20664905
N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 169313143
2-[4-(dimethylamino)-4-oxobutyl]sulfanyl-3-methylbutanoic acid
CID 105353850

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride?
The IUPAC name of 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride (CID 142449725) is 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride.
What is the SMILES notation for 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride?
The canonical SMILES for 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride is CN(C)CCSSCCCC(=O)F.
What is the InChIKey of 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride?
The InChIKey is BOGYXQSVTMSXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNOS2/c1-10(2)5-7-13-12-6-3-4-8(9)11/h3-7H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride?
4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride has a molecular weight of 225.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride is sourced from PubChem (CID 142449725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).