diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate

C7H16F3O4PS — CID 170264290

IUPACdiethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate
SMILESCCOP(=O)(OCC)OCCCS(F)(F)F
InChIInChI=1S/C7H16F3O4PS/c1-3-12-15(11,13-4-2)14-6-5-7-16(8,9)10/h3-7H2,1-2H3
InChIKeyPFHMYMZBMILUAW-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.03
Rot. Bonds9

About diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate

diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate (PubChem CID 170264290) has the molecular formula C7H16F3O4PS and a molecular weight of 284.24 g/mol. Its IUPAC name is diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate.

Molecular Properties

Compound Namediethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate
PubChem CID170264290
Molecular FormulaC7H16F3O4PS
Molecular Weight284.24 g/mol
Exact Mass284.05
IUPAC Namediethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate
SMILESCCOP(=O)(OCC)OCCCS(F)(F)F
InChIInChI=1S/C7H16F3O4PS/c1-3-12-15(11,13-4-2)14-6-5-7-16(8,9)10/h3-7H2,1-2H3
InChIKeyPFHMYMZBMILUAW-UHFFFAOYSA-N
XLogP4.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosphorothioic acid, O,O-diethyl S-propyl ester
CID 152293
Phosphorothioic acid, O,O-diethyl S-isopropyl ester
CID 3048038
2-[Ethoxy(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
CID 20350040
1-[Ethoxy(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
CID 20350048
3-Diethoxyphosphorylpropyl(trifluoro)-lambda4-sulfane
CID 170264289
Trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-lambda4-sulfane
CID 170264386
Dimethyl 3-(trifluoro-lambda4-sulfanyl)propyl phosphate
CID 170264387
3-[Difluoro(methyl)-lambda4-sulfanyl]propyl diethyl phosphate
CID 170264543
3-[Difluoro(methyl)-lambda4-sulfanyl]propyl dimethyl phosphate
CID 170264553
Diethyl 3-[fluoro(dimethyl)-lambda4-sulfanyl]propyl phosphate
CID 170265358
Diethyl 2-sulfanylpropyl phosphate
CID 140172622

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate?
The IUPAC name of diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate (CID 170264290) is diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate.
What is the SMILES notation for diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate?
The canonical SMILES for diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate is CCOP(=O)(OCC)OCCCS(F)(F)F.
What is the InChIKey of diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate?
The InChIKey is PFHMYMZBMILUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3O4PS/c1-3-12-15(11,13-4-2)14-6-5-7-16(8,9)10/h3-7H2,1-2H3.
What are the key properties of diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate?
diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate has a molecular weight of 284.24 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(trifluoro-λ4-sulfanyl)propyl phosphate is sourced from PubChem (CID 170264290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).