1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane

C12H17F10P — CID 22348772

IUPAC1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane
SMILESCCCCCCCC(F)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F10P/c1-2-3-4-5-6-7-8(13,23)9(14,15)10(16,17)11(18,19)12(20,21)22/h2-7,23H2,1H3
InChIKeyDURYQILTPXAUDD-UHFFFAOYSA-N
MW382.22 g/mol
LogP6.36
Rot. Bonds9

About 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane

1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane (PubChem CID 22348772) has the molecular formula C12H17F10P and a molecular weight of 382.22 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane
PubChem CID22348772
Molecular FormulaC12H17F10P
Molecular Weight382.22 g/mol
Exact Mass382.09
IUPAC Name1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane
SMILESCCCCCCCC(F)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F10P/c1-2-3-4-5-6-7-8(13,23)9(14,15)10(16,17)11(18,19)12(20,21)22/h2-7,23H2,1H3
InChIKeyDURYQILTPXAUDD-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.22
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
2,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)undecanoic acid
CID 88617652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-undecylpropanedioic acid
CID 101274364
1,1,1,2,2-pentafluorononadecane
CID 98452406
dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide
CID 146503666

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane (CID 22348772) is 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane is CCCCCCCC(F)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane?
The InChIKey is DURYQILTPXAUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F10P/c1-2-3-4-5-6-7-8(13,23)9(14,15)10(16,17)11(18,19)12(20,21)22/h2-7,23H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane?
1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane has a molecular weight of 382.22 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane is sourced from PubChem (CID 22348772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).