2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid

C7H2F12O2 — CID 15243

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)
InChIKeyJZHDEEOTEUVLHR-UHFFFAOYSA-N
MW346.07 g/mol
LogP3.51
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid (PubChem CID 15243) has the molecular formula C7H2F12O2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
PubChem CID15243
Molecular FormulaC7H2F12O2
Molecular Weight346.07 g/mol
Exact Mass345.99
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)
InChIKeyJZHDEEOTEUVLHR-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Perfluorooctanoic acid
CID 9554
Perfluoroheptanoic acid
CID 67818
Perfluorononanoic acid
CID 67821
Perfluorohexanoic Acid
CID 67542
Perfluorodecanoic acid
CID 9555
Perfluoroundecanoic acid
CID 77222
3:3 Fluorotelomer carboxylic acid
CID 2774909
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanoic acid
CID 11783764
Perfluorododecanoic acid
CID 67545
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid
CID 6434
Perfluorotetradecanoic acid
CID 67822
Perfluorooctadecanoic acid
CID 167547

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid (CID 15243) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid is O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid?
The InChIKey is JZHDEEOTEUVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid has a molecular weight of 346.07 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid is sourced from PubChem (CID 15243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).