1,1,1,2,2,2-hexafluoroethane;phosphoric acid

C2H3F6O4P — CID 159148142

IUPAC1,1,1,2,2,2-hexafluoroethane;phosphoric acid
SMILESFC(F)(F)C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C2F6.H3O4P/c3-1(4,5)2(6,7)8;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyKIYDPSXGQGDREZ-UHFFFAOYSA-N
MW236.00 g/mol
LogP1.18
Rot. Bonds

About 1,1,1,2,2,2-hexafluoroethane;phosphoric acid

1,1,1,2,2,2-hexafluoroethane;phosphoric acid (PubChem CID 159148142) has the molecular formula C2H3F6O4P and a molecular weight of 236.00 g/mol. Its IUPAC name is 1,1,1,2,2,2-hexafluoroethane;phosphoric acid.

Molecular Properties

Compound Name1,1,1,2,2,2-hexafluoroethane;phosphoric acid
PubChem CID159148142
Molecular FormulaC2H3F6O4P
Molecular Weight236.00 g/mol
Exact Mass235.97
IUPAC Name1,1,1,2,2,2-hexafluoroethane;phosphoric acid
SMILESFC(F)(F)C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C2F6.H3O4P/c3-1(4,5)2(6,7)8;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyKIYDPSXGQGDREZ-UHFFFAOYSA-N
XLogP1.18
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.00
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromo(trifluoro)methane;phosphoric acid
CID 172736690
sodium;phosphoric acid;1,1,1-trifluoroethane
CID 172730635
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
lithium;1,1,1,2,2-pentafluoroethane;phosphoric acid
CID 162308540
1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
CID 53432341
lithium;hydride;phosphoric acid;tetrafluoroborate
CID 175200376
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;titanium
CID 139211571
alumane;phosphoric acid
CID 173406921
methane;phosphoric acid
CID 18515646
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,2-hexafluoroethane;phosphoric acid?
The IUPAC name of 1,1,1,2,2,2-hexafluoroethane;phosphoric acid (CID 159148142) is 1,1,1,2,2,2-hexafluoroethane;phosphoric acid.
What is the SMILES notation for 1,1,1,2,2,2-hexafluoroethane;phosphoric acid?
The canonical SMILES for 1,1,1,2,2,2-hexafluoroethane;phosphoric acid is FC(F)(F)C(F)(F)F.O=P(O)(O)O.
What is the InChIKey of 1,1,1,2,2,2-hexafluoroethane;phosphoric acid?
The InChIKey is KIYDPSXGQGDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6.H3O4P/c3-1(4,5)2(6,7)8;1-5(2,3)4/h;(H3,1,2,3,4).
What are the key properties of 1,1,1,2,2,2-hexafluoroethane;phosphoric acid?
1,1,1,2,2,2-hexafluoroethane;phosphoric acid has a molecular weight of 236.00 g/mol, XLogP of 1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,2-hexafluoroethane;phosphoric acid is sourced from PubChem (CID 159148142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).