4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid

C7H10F7O4P — CID 173193364

IUPAC4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid
SMILESCC=CC(F)C(F)(F)C(F)(F)C(F)F.O=P(O)(O)O
InChIInChI=1S/C7H7F7.H3O4P/c1-2-3-4(8)6(11,12)7(13,14)5(9)10;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4)
InChIKeyXGEYTPIMNMYVGW-UHFFFAOYSA-N
MW322.11 g/mol
LogP2.51
Rot. Bonds4

About 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid

4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid (PubChem CID 173193364) has the molecular formula C7H10F7O4P and a molecular weight of 322.11 g/mol. Its IUPAC name is 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid.

Molecular Properties

Compound Name4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid
PubChem CID173193364
Molecular FormulaC7H10F7O4P
Molecular Weight322.11 g/mol
Exact Mass322.02
IUPAC Name4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid
SMILESCC=CC(F)C(F)(F)C(F)(F)C(F)F.O=P(O)(O)O
InChIInChI=1S/C7H7F7.H3O4P/c1-2-3-4(8)6(11,12)7(13,14)5(9)10;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4)
InChIKeyXGEYTPIMNMYVGW-UHFFFAOYSA-N
XLogP2.51
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 52.51
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-pentafluorohex-2-ene;phosphoric acid
CID 173193356
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
phosphoric acid;tetrafluorophosphanium
CID 175988540
methyl (E)-2-fluoropent-3-enoate
CID 134934364
[1-(2-aminopropanoylamino)-2,2,2-trifluoroethyl]phosphonic acid
CID 85321325
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
CID 124702545
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
CID 174718444
3,3,4,4,5,5-hexafluoro-2-hydroxypentanoic acid
CID 15312130
(E)-4,4,5,5,6,6-hexafluoro-2-methylhex-2-enoic acid
CID 142715097
2-phosphonooxypent-3-enoic acid
CID 154398520

Frequently Asked Questions

What is the IUPAC name of 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid?
The IUPAC name of 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid (CID 173193364) is 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid.
What is the SMILES notation for 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid?
The canonical SMILES for 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid is CC=CC(F)C(F)(F)C(F)(F)C(F)F.O=P(O)(O)O.
What is the InChIKey of 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid?
The InChIKey is XGEYTPIMNMYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7.H3O4P/c1-2-3-4(8)6(11,12)7(13,14)5(9)10;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4).
What are the key properties of 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid?
4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid has a molecular weight of 322.11 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6,6,7,7-heptafluorohept-2-ene;phosphoric acid is sourced from PubChem (CID 173193364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).