dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane

C8HF18Li2O4P — CID 175326107

IUPACdilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=P([O-])([O-])O.[Li+].[Li+]
InChIInChI=1S/C8F18.2Li.H3O4P/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyBRZHKYKZHFLTQG-UHFFFAOYSA-L
MW547.91 g/mol
LogP-2.26
Rot. Bonds5

About dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane

dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane (PubChem CID 175326107) has the molecular formula C8HF18Li2O4P and a molecular weight of 547.91 g/mol. Its IUPAC name is dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane.

Molecular Properties

Compound Namedilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
PubChem CID175326107
Molecular FormulaC8HF18Li2O4P
Molecular Weight547.91 g/mol
Exact Mass547.96
IUPAC Namedilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=P([O-])([O-])O.[Li+].[Li+]
InChIInChI=1S/C8F18.2Li.H3O4P/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyBRZHKYKZHFLTQG-UHFFFAOYSA-L
XLogP-2.26
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.91
LogP ≤ 5-2.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174718444
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CID 87936901
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
lithium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
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CID 87154822
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
1-chloro-1,2,2,3,3,4,4,5,5,6,6,6-dodecafluorohexane-1-sulfonic acid
CID 138394286
dilithium;difluoroborinic acid;hydrogen phosphate
CID 175292339
bis(chromium(3+));hydrogen phosphate
CID 19708255
hydrogen phosphate;bis(lutetium(3+))
CID 159566068
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323

Frequently Asked Questions

What is the IUPAC name of dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane?
The IUPAC name of dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane (CID 175326107) is dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane.
What is the SMILES notation for dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane?
The canonical SMILES for dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=P([O-])([O-])O.[Li+].[Li+].
What is the InChIKey of dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane?
The InChIKey is BRZHKYKZHFLTQG-UHFFFAOYSA-L. The full InChI is InChI=1S/C8F18.2Li.H3O4P/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane?
dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane has a molecular weight of 547.91 g/mol, XLogP of -2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane is sourced from PubChem (CID 175326107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).