fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane

C13H28FO2PS — CID 87279187

IUPACfluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
SMILESCCCCCCCCCCCCCOP(O)(F)=S
InChIInChI=1S/C13H28FO2PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17(14,15)18/h2-13H2,1H3,(H,15,18)
InChIKeyHKRDRUSAAPKPKR-UHFFFAOYSA-N
MW298.40 g/mol
LogP5.50
Rot. Bonds13

About fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane

fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane (PubChem CID 87279187) has the molecular formula C13H28FO2PS and a molecular weight of 298.40 g/mol. Its IUPAC name is fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane.

Molecular Properties

Compound Namefluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
PubChem CID87279187
Molecular FormulaC13H28FO2PS
Molecular Weight298.40 g/mol
Exact Mass298.15
IUPAC Namefluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
SMILESCCCCCCCCCCCCCOP(O)(F)=S
InChIInChI=1S/C13H28FO2PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17(14,15)18/h2-13H2,1H3,(H,15,18)
InChIKeyHKRDRUSAAPKPKR-UHFFFAOYSA-N
XLogP5.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
pentatriacontyl dihydrogen phosphate
CID 164897229
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
decyl dodecyl hydrogen phosphate
CID 20810618
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
hydroxy-imino-dioctoxy-λ5-phosphane
CID 123483263
hexyl nonyl hydrogen phosphate
CID 23169649
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
octatriacontyl dihydrogen phosphate
CID 140979287
CID 158562006
CID 158562006

Frequently Asked Questions

What is the IUPAC name of fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane?
The IUPAC name of fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane (CID 87279187) is fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane.
What is the SMILES notation for fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane?
The canonical SMILES for fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane is CCCCCCCCCCCCCOP(O)(F)=S.
What is the InChIKey of fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane?
The InChIKey is HKRDRUSAAPKPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FO2PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17(14,15)18/h2-13H2,1H3,(H,15,18).
What are the key properties of fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane?
fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane has a molecular weight of 298.40 g/mol, XLogP of 5.50, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane is sourced from PubChem (CID 87279187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).