dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane

C32H56Cl3F3P2 — CID 157370780

IUPACdioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCCCc1cccc(C(F)(F)F)c1.ClP(Cl)Cl
InChIInChI=1S/C32H56F3P.Cl3P/c1-3-5-7-9-15-19-26-36(27-20-16-10-8-6-4-2)28-21-17-13-11-12-14-18-23-30-24-22-25-31(29-30)32(33,34)35;1-4(2)3/h22,24-25,29H,3-21,23,26-28H2,1-2H3;
InChIKeyBJSSEIPNBZOHLV-UHFFFAOYSA-N
MW666.10 g/mol
LogP15.11
Rot. Bonds24

About dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane

dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane (PubChem CID 157370780) has the molecular formula C32H56Cl3F3P2 and a molecular weight of 666.10 g/mol. Its IUPAC name is dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane.

Molecular Properties

Compound Namedioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane
PubChem CID157370780
Molecular FormulaC32H56Cl3F3P2
Molecular Weight666.10 g/mol
Exact Mass664.29
IUPAC Namedioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCCCc1cccc(C(F)(F)F)c1.ClP(Cl)Cl
InChIInChI=1S/C32H56F3P.Cl3P/c1-3-5-7-9-15-19-26-36(27-20-16-10-8-6-4-2)28-21-17-13-11-12-14-18-23-30-24-22-25-31(29-30)32(33,34)35;1-4(2)3/h22,24-25,29H,3-21,23,26-28H2,1-2H3;
InChIKeyBJSSEIPNBZOHLV-UHFFFAOYSA-N
XLogP15.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.10
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane?
The IUPAC name of dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane (CID 157370780) is dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane.
What is the SMILES notation for dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane?
The canonical SMILES for dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane is CCCCCCCCP(CCCCCCCC)CCCCCCCCCc1cccc(C(F)(F)F)c1.ClP(Cl)Cl.
What is the InChIKey of dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane?
The InChIKey is BJSSEIPNBZOHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56F3P.Cl3P/c1-3-5-7-9-15-19-26-36(27-20-16-10-8-6-4-2)28-21-17-13-11-12-14-18-23-30-24-22-25-31(29-30)32(33,34)35;1-4(2)3/h22,24-25,29H,3-21,23,26-28H2,1-2H3;.
What are the key properties of dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane?
dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane has a molecular weight of 666.10 g/mol, XLogP of 15.11, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dioctyl-[9-[3-(trifluoromethyl)phenyl]nonyl]phosphane;trichlorophosphane is sourced from PubChem (CID 157370780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).