4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid

C6H10F5O4P — CID 173193356

IUPAC4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid
SMILESCC=CC(F)C(F)(F)C(F)F.O=P(O)(O)O
InChIInChI=1S/C6H7F5.H3O4P/c1-2-3-4(7)6(10,11)5(8)9;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4)
InChIKeyBATYCDMPHJKXNI-UHFFFAOYSA-N
MW272.11 g/mol
LogP1.87
Rot. Bonds3

About 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid

4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid (PubChem CID 173193356) has the molecular formula C6H10F5O4P and a molecular weight of 272.11 g/mol. Its IUPAC name is 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid.

Molecular Properties

Compound Name4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid
PubChem CID173193356
Molecular FormulaC6H10F5O4P
Molecular Weight272.11 g/mol
Exact Mass272.02
IUPAC Name4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid
SMILESCC=CC(F)C(F)(F)C(F)F.O=P(O)(O)O
InChIInChI=1S/C6H7F5.H3O4P/c1-2-3-4(7)6(10,11)5(8)9;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4)
InChIKeyBATYCDMPHJKXNI-UHFFFAOYSA-N
XLogP1.87
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid
CID 173193364
phosphoric acid;tetrafluorophosphanium
CID 175988540
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
CID 174718444
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
phosphoric acid;xenon
CID 159732465
methyl (E)-2-fluoropent-3-enoate
CID 134934364
(E)-1-dimethoxyphosphorylbut-2-en-1-ol
CID 5470785
bromo(trifluoro)methane;phosphoric acid
CID 172736690
phosphoric acid;prop-1-ene
CID 175586036
magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid
CID 158730152
2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
CID 124702545

Frequently Asked Questions

What is the IUPAC name of 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid?
The IUPAC name of 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid (CID 173193356) is 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid.
What is the SMILES notation for 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid?
The canonical SMILES for 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid is CC=CC(F)C(F)(F)C(F)F.O=P(O)(O)O.
What is the InChIKey of 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid?
The InChIKey is BATYCDMPHJKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5.H3O4P/c1-2-3-4(7)6(10,11)5(8)9;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4).
What are the key properties of 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid?
4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid has a molecular weight of 272.11 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6,6-pentafluorohex-2-ene;phosphoric acid is sourced from PubChem (CID 173193356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).