fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane

C21H50F4N2O13P4 — CID 175422157

IUPACfluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane
SMILESCCCCCC(CCC)OC(CCC)CCCCC.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.c1c[nH]cn1
InChIInChI=1S/C18H38O.C3H4N2.4FH2O3P/c1-5-9-11-15-17(13-7-3)19-18(14-8-4)16-12-10-6-2;1-2-5-3-4-1;4*1-5(2,3)4/h17-18H,5-16H2,1-4H3;1-3H,(H,4,5);4*(H2,2,3,4)
InChIKeyJDHISQVMSMGCGG-UHFFFAOYSA-N
MW738.52 g/mol
LogP7.11
Rot. Bonds14

About fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane

fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane (PubChem CID 175422157) has the molecular formula C21H50F4N2O13P4 and a molecular weight of 738.52 g/mol. Its IUPAC name is fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane.

Molecular Properties

Compound Namefluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane
PubChem CID175422157
Molecular FormulaC21H50F4N2O13P4
Molecular Weight738.52 g/mol
Exact Mass738.22
IUPAC Namefluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane
SMILESCCCCCC(CCC)OC(CCC)CCCCC.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.c1c[nH]cn1
InChIInChI=1S/C18H38O.C3H4N2.4FH2O3P/c1-5-9-11-15-17(13-7-3)19-18(14-8-4)16-12-10-6-2;1-2-5-3-4-1;4*1-5(2,3)4/h17-18H,5-16H2,1-4H3;1-3H,(H,4,5);4*(H2,2,3,4)
InChIKeyJDHISQVMSMGCGG-UHFFFAOYSA-N
XLogP7.11
TPSA268.03 Ų
H-Bond Donors9
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.52
LogP ≤ 57.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 106

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

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CID 162220747
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CID 22649828
3-octan-3-yloxyoctane;phosphoric acid
CID 118002382
4-icosan-4-yloxyicosane
CID 87313284
hexyl hydrogen sulfate;1H-imidazole
CID 174877822
4-hexadecan-5-yloxyhexadecane
CID 57069400
1H-imidazole;tetrabutylazanium
CID 175066888
ethyl octanoate;1H-imidazole
CID 175401289
henicosan-4-yl dihydrogen phosphate
CID 175269897
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617

Frequently Asked Questions

What is the IUPAC name of fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane?
The IUPAC name of fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane (CID 175422157) is fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane.
What is the SMILES notation for fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane?
The canonical SMILES for fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane is CCCCCC(CCC)OC(CCC)CCCCC.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.c1c[nH]cn1.
What is the InChIKey of fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane?
The InChIKey is JDHISQVMSMGCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O.C3H4N2.4FH2O3P/c1-5-9-11-15-17(13-7-3)19-18(14-8-4)16-12-10-6-2;1-2-5-3-4-1;4*1-5(2,3)4/h17-18H,5-16H2,1-4H3;1-3H,(H,4,5);4*(H2,2,3,4).
What are the key properties of fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane?
fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane has a molecular weight of 738.52 g/mol, XLogP of 7.11, 14 rotatable bonds, 9 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane is sourced from PubChem (CID 175422157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).