[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate

C6H7F7O4P- — CID 152771675

IUPAC[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate
SMILESO=P([O-])(O)OCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F7O4P/c7-4(5(8,9)10,6(11,12)13)2-1-3-17-18(14,15)16/h1-3H2,(H2,14,15,16)/p-1
InChIKeyZJKBMQQRHIXIGD-UHFFFAOYSA-M
MW307.08 g/mol
LogP2.08
Rot. Bonds5

About [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate

[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate (PubChem CID 152771675) has the molecular formula C6H7F7O4P- and a molecular weight of 307.08 g/mol. Its IUPAC name is [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate.

Molecular Properties

Compound Name[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate
PubChem CID152771675
Molecular FormulaC6H7F7O4P-
Molecular Weight307.08 g/mol
Exact Mass307.00
IUPAC Name[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate
SMILESO=P([O-])(O)OCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F7O4P/c7-4(5(8,9)10,6(11,12)13)2-1-3-17-18(14,15)16/h1-3H2,(H2,14,15,16)/p-1
InChIKeyZJKBMQQRHIXIGD-UHFFFAOYSA-M
XLogP2.08
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphono [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate
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potassium;hexadecyl hydrogen phosphate;phosphoric acid
CID 162057892
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
6,6,6-trifluorohexyl dihydrogen phosphate
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[6-[6-[hydroxy(oxido)phosphoryl]oxy-5,5-dimethylhexoxy]-2,2-dimethylhexyl] hydrogen phosphate
CID 59125142
12,12,13,13,14,14,15,15,15-nonafluoropentadecyl dihydrogen phosphate
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CID 90410935
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
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Frequently Asked Questions

What is the IUPAC name of [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate?
The IUPAC name of [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate (CID 152771675) is [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate.
What is the SMILES notation for [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate?
The canonical SMILES for [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate is O=P([O-])(O)OCCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate?
The InChIKey is ZJKBMQQRHIXIGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8F7O4P/c7-4(5(8,9)10,6(11,12)13)2-1-3-17-18(14,15)16/h1-3H2,(H2,14,15,16)/p-1.
What are the key properties of [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate?
[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate has a molecular weight of 307.08 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate is sourced from PubChem (CID 152771675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).