hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane

C7H14F3O2PS — CID 88693701

IUPAChydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
SMILESCCCCCP(O)(=S)OCC(F)(F)F
InChIInChI=1S/C7H14F3O2PS/c1-2-3-4-5-13(11,14)12-6-7(8,9)10/h2-6H2,1H3,(H,11,14)
InChIKeyIZDIAPPHTLYCIC-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.06
Rot. Bonds6

About hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane

hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane (PubChem CID 88693701) has the molecular formula C7H14F3O2PS and a molecular weight of 250.22 g/mol. Its IUPAC name is hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
PubChem CID88693701
Molecular FormulaC7H14F3O2PS
Molecular Weight250.22 g/mol
Exact Mass250.04
IUPAC Namehydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
SMILESCCCCCP(O)(=S)OCC(F)(F)F
InChIInChI=1S/C7H14F3O2PS/c1-2-3-4-5-13(11,14)12-6-7(8,9)10/h2-6H2,1H3,(H,11,14)
InChIKeyIZDIAPPHTLYCIC-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.06
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-butyl-hydroxy-sulfanylidene-λ5-phosphane
CID 88675166
1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 87128078
1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 87990590
hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 174548600
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
1-[butyl(2,2,2-trifluoroethyl)phosphoryl]oxybutane
CID 87128383
hexan-1-amine;phosphono bis(2,2,2-trifluoroethyl) phosphate
CID 171930113
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane
CID 87155686
dibutyl 2,2,2-trifluoroethyl phosphate
CID 6424864
ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
CID 88680594
fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
CID 87279187

Frequently Asked Questions

What is the IUPAC name of hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The IUPAC name of hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane (CID 88693701) is hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane.
What is the SMILES notation for hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The canonical SMILES for hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane is CCCCCP(O)(=S)OCC(F)(F)F.
What is the InChIKey of hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The InChIKey is IZDIAPPHTLYCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3O2PS/c1-2-3-4-5-13(11,14)12-6-7(8,9)10/h2-6H2,1H3,(H,11,14).
What are the key properties of hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane has a molecular weight of 250.22 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane is sourced from PubChem (CID 88693701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).