bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane

C14H9F24O3P — CID 87827924

IUPACbis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane
SMILESOP(O)(O)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H9F24O3P/c15-3(16)7(23,24)11(31,32)13(35,36)9(27,28)5(19,20)1-42(39,40,41)2-6(21,22)10(29,30)14(37,38)12(33,34)8(25,26)4(17)18/h3-4,39-41H,1-2H2
InChIKeyWOKZODIUFIXXDZ-UHFFFAOYSA-N
MW712.15 g/mol
LogP7.14
Rot. Bonds14

About bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane

bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane (PubChem CID 87827924) has the molecular formula C14H9F24O3P and a molecular weight of 712.15 g/mol. Its IUPAC name is bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane.

Molecular Properties

Compound Namebis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane
PubChem CID87827924
Molecular FormulaC14H9F24O3P
Molecular Weight712.15 g/mol
Exact Mass711.99
IUPAC Namebis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane
SMILESOP(O)(O)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H9F24O3P/c15-3(16)7(23,24)11(31,32)13(35,36)9(27,28)5(19,20)1-42(39,40,41)2-6(21,22)10(29,30)14(37,38)12(33,34)8(25,26)4(17)18/h3-4,39-41H,1-2H2
InChIKeyWOKZODIUFIXXDZ-UHFFFAOYSA-N
XLogP7.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.15
LogP ≤ 57.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane?
The IUPAC name of bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane (CID 87827924) is bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane.
What is the SMILES notation for bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane?
The canonical SMILES for bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane is OP(O)(O)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane?
The InChIKey is WOKZODIUFIXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F24O3P/c15-3(16)7(23,24)11(31,32)13(35,36)9(27,28)5(19,20)1-42(39,40,41)2-6(21,22)10(29,30)14(37,38)12(33,34)8(25,26)4(17)18/h3-4,39-41H,1-2H2.
What are the key properties of bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane?
bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane has a molecular weight of 712.15 g/mol, XLogP of 7.14, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane is sourced from PubChem (CID 87827924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).