1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane

C6H13F2O2PS — CID 87990590

IUPAC1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCC(F)(F)P(O)(O)=S
InChIInChI=1S/C6H13F2O2PS/c1-2-3-4-5-6(7,8)11(9,10)12/h2-5H2,1H3,(H2,9,10,12)
InChIKeyGTUCTZLVFAOUMJ-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.45
Rot. Bonds5

About 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane

1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 87990590) has the molecular formula C6H13F2O2PS and a molecular weight of 218.20 g/mol. Its IUPAC name is 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID87990590
Molecular FormulaC6H13F2O2PS
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC Name1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCC(F)(F)P(O)(O)=S
InChIInChI=1S/C6H13F2O2PS/c1-2-3-4-5-6(7,8)11(9,10)12/h2-5H2,1H3,(H2,9,10,12)
InChIKeyGTUCTZLVFAOUMJ-UHFFFAOYSA-N
XLogP2.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1,1-difluorohexylphosphonic acid
CID 87256620
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
6-butyl-6-fluoroundecane
CID 11424735
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 88693701
9-fluoropentacosan-9-ol
CID 139794548
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
1,1,1-trifluorohexadecane
CID 15685316
3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 22107490
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
1,2,2,3,3,4,4-heptafluorononane-1,1-diol
CID 152701783

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane (CID 87990590) is 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane is CCCCCC(F)(F)P(O)(O)=S.
What is the InChIKey of 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is GTUCTZLVFAOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2O2PS/c1-2-3-4-5-6(7,8)11(9,10)12/h2-5H2,1H3,(H2,9,10,12).
What are the key properties of 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane?
1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 218.20 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87990590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).