[1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane

C16H20F5O2PS2 — CID 144560831

IUPAC[1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane
SMILESCOSC(F)(F)C(F)(P)C(F)(F)SOc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H20F5O2PS2/c1-22-25-15(18,19)14(17,24)16(20,21)26-23-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6,24H2,1H3
InChIKeyDAMPNIXXQRWHRI-UHFFFAOYSA-N
MW434.43 g/mol
LogP6.78
Rot. Bonds8

About [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane

[1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane (PubChem CID 144560831) has the molecular formula C16H20F5O2PS2 and a molecular weight of 434.43 g/mol. Its IUPAC name is [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane.

Molecular Properties

Compound Name[1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane
PubChem CID144560831
Molecular FormulaC16H20F5O2PS2
Molecular Weight434.43 g/mol
Exact Mass434.06
IUPAC Name[1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane
SMILESCOSC(F)(F)C(F)(P)C(F)(F)SOc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H20F5O2PS2/c1-22-25-15(18,19)14(17,24)16(20,21)26-23-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6,24H2,1H3
InChIKeyDAMPNIXXQRWHRI-UHFFFAOYSA-N
XLogP6.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.43
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane with MolForge

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Related Compounds

1,3,5-tricyclohexyl-2-[1,1,2,3,3-pentafluoro-3-(methylsulfanylamino)sulfanyl-2-phosphanylpropyl]sulfanyloxybenzene
CID 167045064
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
(4-cyclohexylphenoxy)-dimethylsulfanium
CID 139727859
(4-cyclododecylphenyl) cyanate
CID 142705601
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-O-(4-cyclohexylphenyl) 3-O-methyl 1,1,2,2,3-pentafluorobutane-1,3-disulfonate
CID 123716217
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
CID 116841385
1-cyclohexyl-4-ethenoxybenzene
CID 67464363

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane?
The IUPAC name of [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane (CID 144560831) is [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane.
What is the SMILES notation for [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane?
The canonical SMILES for [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane is COSC(F)(F)C(F)(P)C(F)(F)SOc1ccc(C2CCCCC2)cc1.
What is the InChIKey of [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane?
The InChIKey is DAMPNIXXQRWHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F5O2PS2/c1-22-25-15(18,19)14(17,24)16(20,21)26-23-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6,24H2,1H3.
What are the key properties of [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane?
[1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane has a molecular weight of 434.43 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclohexylphenoxy)sulfanyl-1,1,2,3,3-pentafluoro-3-methoxysulfanylpropan-2-yl]phosphane is sourced from PubChem (CID 144560831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).