(1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane

C15H14F19OP — CID 143018723

IUPAC(1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane
SMILESCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C15H14F19OP/c1-3-35-5-4-7(18,19)9(22,23)11(26,27)13(30,31)15(34,36)14(32,33)12(28,29)10(24,25)8(20,21)6(2,16)17/h3-5,36H2,1-2H3
InChIKeyACDLNPJBERUZKN-UHFFFAOYSA-N
MW602.21 g/mol
LogP7.69
Rot. Bonds13

About (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane

(1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane (PubChem CID 143018723) has the molecular formula C15H14F19OP and a molecular weight of 602.21 g/mol. Its IUPAC name is (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane.

Molecular Properties

Compound Name(1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane
PubChem CID143018723
Molecular FormulaC15H14F19OP
Molecular Weight602.21 g/mol
Exact Mass602.05
IUPAC Name(1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane
SMILESCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C15H14F19OP/c1-3-35-5-4-7(18,19)9(22,23)11(26,27)13(30,31)15(34,36)14(32,33)12(28,29)10(24,25)8(20,21)6(2,16)17/h3-5,36H2,1-2H3
InChIKeyACDLNPJBERUZKN-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.21
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane?
The IUPAC name of (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane (CID 143018723) is (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane.
What is the SMILES notation for (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane?
The canonical SMILES for (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane is CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane?
The InChIKey is ACDLNPJBERUZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F19OP/c1-3-35-5-4-7(18,19)9(22,23)11(26,27)13(30,31)15(34,36)14(32,33)12(28,29)10(24,25)8(20,21)6(2,16)17/h3-5,36H2,1-2H3.
What are the key properties of (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane?
(1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane has a molecular weight of 602.21 g/mol, XLogP of 7.69, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane is sourced from PubChem (CID 143018723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).