methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane

C13H15F16O4P — CID 14893552

IUPACmethyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane
SMILESCP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C13H15F16O4P/c1-34(30-2-10(22,23)6(14)15,31-3-11(24,25)7(16)17,32-4-12(26,27)8(18)19)33-5-13(28,29)9(20)21/h6-9H,2-5H2,1H3
InChIKeyRBMHQXGJEKWJML-UHFFFAOYSA-N
MW570.20 g/mol
LogP6.50
Rot. Bonds16

About methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane

methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane (PubChem CID 14893552) has the molecular formula C13H15F16O4P and a molecular weight of 570.20 g/mol. Its IUPAC name is methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane.

Molecular Properties

Compound Namemethyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane
PubChem CID14893552
Molecular FormulaC13H15F16O4P
Molecular Weight570.20 g/mol
Exact Mass570.05
IUPAC Namemethyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane
SMILESCP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C13H15F16O4P/c1-34(30-2-10(22,23)6(14)15,31-3-11(24,25)7(16)17,32-4-12(26,27)8(18)19)33-5-13(28,29)9(20)21/h6-9H,2-5H2,1H3
InChIKeyRBMHQXGJEKWJML-UHFFFAOYSA-N
XLogP6.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.20
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosphite, tris(2,2,3,3-tetrafluoropropyl)-
CID 137513
Triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-lambda~5~-phosphane
CID 12732919
Hexafluoroisopropylidenethoxydimethoxyphosphorane
CID 13115973
Ethyl bis(2,2,2-trifluoroethyl) phosphite
CID 58040759
Tri-(3,3,3-trifluoropropyl) phosphate
CID 87311648
[3-(Diethoxy-phosphoryl)-1,1,2,2,3,3-hexafluoro-propyl]-phosphonic acid diethyl ester
CID 9979741
[4-(Diethoxy-phosphoryl)-1,1,2,2,3,3,4,4-octafluoro-butyl]-phosphonic acid diethyl ester
CID 10096428
Pentakis(2,2,2-trifluoroethoxy)phosphorane
CID 51258
1-Propanol, 2,2,3,3-tetrafluoro-, phosphate (3:1)
CID 4106535
(Trifluoromethyl)diethoxyphosphine
CID 12512958
Pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane
CID 12516188
Methyl bis(2,2,3,3-tetrafluoropropyl) phosphate
CID 12516193

Frequently Asked Questions

What is the IUPAC name of methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane?
The IUPAC name of methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane (CID 14893552) is methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane.
What is the SMILES notation for methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane?
The canonical SMILES for methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane is CP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane?
The InChIKey is RBMHQXGJEKWJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F16O4P/c1-34(30-2-10(22,23)6(14)15,31-3-11(24,25)7(16)17,32-4-12(26,27)8(18)19)33-5-13(28,29)9(20)21/h6-9H,2-5H2,1H3.
What are the key properties of methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane?
methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane has a molecular weight of 570.20 g/mol, XLogP of 6.50, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tetrakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane is sourced from PubChem (CID 14893552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).