methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane

C14H19F14P — CID 90212328

IUPACmethyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane
SMILESCP(CCC(F)(F)F)(CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F14P/c1-29(7-3-11(17,18)19,8-4-12(20,21)22,9-5-13(23,24)25)6-2-10(15,16)14(26,27)28/h2-9H2,1H3
InChIKeyMTQOYLSBFJHVBT-UHFFFAOYSA-N
MW484.25 g/mol
LogP7.61
Rot. Bonds9

About methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane

methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane (PubChem CID 90212328) has the molecular formula C14H19F14P and a molecular weight of 484.25 g/mol. Its IUPAC name is methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane.

Molecular Properties

Compound Namemethyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane
PubChem CID90212328
Molecular FormulaC14H19F14P
Molecular Weight484.25 g/mol
Exact Mass484.10
IUPAC Namemethyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane
SMILESCP(CCC(F)(F)F)(CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F14P/c1-29(7-3-11(17,18)19,8-4-12(20,21)22,9-5-13(23,24)25)6-2-10(15,16)14(26,27)28/h2-9H2,1H3
InChIKeyMTQOYLSBFJHVBT-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.25
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triethyl-methyl-(3,3,3-trifluoropropyl)-λ5-phosphane
CID 90212329
1,1,1,2,2,5,5,5-octafluoropentane
CID 22457046
1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
dimethyl(3,3,4,4,4-pentafluorobutyl)silane
CID 172840662
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
1,1,1,2,2-pentafluorononadecane
CID 98452406
ethane;3,3,4,4,4-pentafluorobutylhydrazine
CID 144862694
1,1,1,2,2-pentafluoro-6-methylheptane
CID 20579538
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecan-1-ol
CID 87061527
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
dimethoxy(3,3,4,4,4-pentafluorobutyl)silane
CID 173012139
[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane
CID 44717333

Frequently Asked Questions

What is the IUPAC name of methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane?
The IUPAC name of methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane (CID 90212328) is methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane.
What is the SMILES notation for methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane?
The canonical SMILES for methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane is CP(CCC(F)(F)F)(CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)F.
What is the InChIKey of methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane?
The InChIKey is MTQOYLSBFJHVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F14P/c1-29(7-3-11(17,18)19,8-4-12(20,21)22,9-5-13(23,24)25)6-2-10(15,16)14(26,27)28/h2-9H2,1H3.
What are the key properties of methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane?
methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane has a molecular weight of 484.25 g/mol, XLogP of 7.61, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane is sourced from PubChem (CID 90212328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).