2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid

C7H2F10O4 — CID 4118201

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C7H2F10O4/c8-3(9,1(18)19)5(12,13)7(16,17)6(14,15)4(10,11)2(20)21/h(H,18,19)(H,20,21)
InChIKeyFDYFJLNRDMUFBF-UHFFFAOYSA-N
MW340.07 g/mol
LogP2.33
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid

2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid (PubChem CID 4118201) has the molecular formula C7H2F10O4 and a molecular weight of 340.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
PubChem CID4118201
Molecular FormulaC7H2F10O4
Molecular Weight340.07 g/mol
Exact Mass339.98
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C7H2F10O4/c8-3(9,1(18)19)5(12,13)7(16,17)6(14,15)4(10,11)2(20)21/h(H,18,19)(H,20,21)
InChIKeyFDYFJLNRDMUFBF-UHFFFAOYSA-N
XLogP2.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.07
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
CID 87197616
CID 87197616
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
CID 87771874
CID 87771874
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid
CID 122236803
azane;bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid)
CID 175748191
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 170845067
alumane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 175046918
lithium;hydride;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 173098001
2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid
CID 131700988

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid (CID 4118201) is 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid is O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid?
The InChIKey is FDYFJLNRDMUFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F10O4/c8-3(9,1(18)19)5(12,13)7(16,17)6(14,15)4(10,11)2(20)21/h(H,18,19)(H,20,21).
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid?
2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid has a molecular weight of 340.07 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid is sourced from PubChem (CID 4118201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).