dodecyl 2-fluoro-2-sulfanylideneacetate

C14H25FO2S — CID 87733560

IUPACdodecyl 2-fluoro-2-sulfanylideneacetate
SMILESCCCCCCCCCCCCOC(=O)C(F)=S
InChIInChI=1S/C14H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13(15)18/h2-12H2,1H3
InChIKeyVNUZUPDVPHMUAA-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.75
Rot. Bonds12

About dodecyl 2-fluoro-2-sulfanylideneacetate

dodecyl 2-fluoro-2-sulfanylideneacetate (PubChem CID 87733560) has the molecular formula C14H25FO2S and a molecular weight of 276.42 g/mol. Its IUPAC name is dodecyl 2-fluoro-2-sulfanylideneacetate.

Molecular Properties

Compound Namedodecyl 2-fluoro-2-sulfanylideneacetate
PubChem CID87733560
Molecular FormulaC14H25FO2S
Molecular Weight276.42 g/mol
Exact Mass276.16
IUPAC Namedodecyl 2-fluoro-2-sulfanylideneacetate
SMILESCCCCCCCCCCCCOC(=O)C(F)=S
InChIInChI=1S/C14H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13(15)18/h2-12H2,1H3
InChIKeyVNUZUPDVPHMUAA-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ditridecyl oxalate
CID 18377796
undecyl 3,3-difluoro-2-methylprop-2-enoate
CID 175057000
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
potassium 2-nonoxy-2-oxoacetate
CID 102118471
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
dipentyl (Z)-2,3-dimethylbut-2-enedioate
CID 175563283
dioctyl 2-hexyl-3-pentylbut-2-enedioate
CID 173381327
dioctyl 2-heptyl-3-octylbut-2-enedioate
CID 173381356
octatetracontyl 2-methylprop-2-enoate
CID 141233444
dioctyl (Z)-2,3-dibutylbut-2-enedioate
CID 87922304
dioctyl (Z)-2,3-dioctylbut-2-enedioate;stannane
CID 173164336

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-fluoro-2-sulfanylideneacetate?
The IUPAC name of dodecyl 2-fluoro-2-sulfanylideneacetate (CID 87733560) is dodecyl 2-fluoro-2-sulfanylideneacetate.
What is the SMILES notation for dodecyl 2-fluoro-2-sulfanylideneacetate?
The canonical SMILES for dodecyl 2-fluoro-2-sulfanylideneacetate is CCCCCCCCCCCCOC(=O)C(F)=S.
What is the InChIKey of dodecyl 2-fluoro-2-sulfanylideneacetate?
The InChIKey is VNUZUPDVPHMUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13(15)18/h2-12H2,1H3.
What are the key properties of dodecyl 2-fluoro-2-sulfanylideneacetate?
dodecyl 2-fluoro-2-sulfanylideneacetate has a molecular weight of 276.42 g/mol, XLogP of 4.75, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-fluoro-2-sulfanylideneacetate is sourced from PubChem (CID 87733560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).