12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate

C15H24F9O4P — CID 130302087

IUPAC12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F9O4P/c16-12(17,13(18,19)14(20,21)15(22,23)24)10-8-6-4-2-1-3-5-7-9-11-28-29(25,26)27/h1-11H2,(H2,25,26,27)
InChIKeyRYKNFUJILGEJNX-UHFFFAOYSA-N
MW470.31 g/mol
LogP6.46
Rot. Bonds15

About 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate

12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate (PubChem CID 130302087) has the molecular formula C15H24F9O4P and a molecular weight of 470.31 g/mol. Its IUPAC name is 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate.

Molecular Properties

Compound Name12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate
PubChem CID130302087
Molecular FormulaC15H24F9O4P
Molecular Weight470.31 g/mol
Exact Mass470.13
IUPAC Name12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F9O4P/c16-12(17,13(18,19)14(20,21)15(22,23)24)10-8-6-4-2-1-3-5-7-9-11-28-29(25,26)27/h1-11H2,(H2,25,26,27)
InChIKeyRYKNFUJILGEJNX-UHFFFAOYSA-N
XLogP6.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.31
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(7,7,8,8,9,9,10,10,10-nonafluorodecyl) phosphate
CID 139789253
azane;3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl dihydrogen phosphate
CID 170848590
6,6,6-trifluorohexyl dihydrogen phosphate
CID 87919212
2-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 10009680
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy-[[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy(hydroxy)phosphoryl]methyl]phosphinic acid
CID 11815626
disodium;2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecoxy)ethoxy]ethyl dihydrogen phosphate
CID 165364131
12,12,13,13,14,14,15,15,15-nonafluoropentadecylphosphonic acid
CID 22630498
dodecyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl hydrogen phosphate
CID 101337544
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecylphosphonic acid
CID 22630520
bis(N-ethylethanamine);3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate
CID 118123548
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276

Frequently Asked Questions

What is the IUPAC name of 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate?
The IUPAC name of 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate (CID 130302087) is 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate.
What is the SMILES notation for 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate?
The canonical SMILES for 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate?
The InChIKey is RYKNFUJILGEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F9O4P/c16-12(17,13(18,19)14(20,21)15(22,23)24)10-8-6-4-2-1-3-5-7-9-11-28-29(25,26)27/h1-11H2,(H2,25,26,27).
What are the key properties of 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate?
12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate has a molecular weight of 470.31 g/mol, XLogP of 6.46, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate is sourced from PubChem (CID 130302087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).