2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid

C12H12F12O2 — CID 139594787

IUPAC2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C12H12F12O2/c13-6(14)1-8(15,16)2-9(17,18)3-10(19,20)4-11(21,22)5-12(23,24)7(25)26/h6H,1-5H2,(H,25,26)
InChIKeyDRGBCPCUASRQQM-UHFFFAOYSA-N
MW416.20 g/mol
LogP5.46
Rot. Bonds11

About 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid

2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid (PubChem CID 139594787) has the molecular formula C12H12F12O2 and a molecular weight of 416.20 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid
PubChem CID139594787
Molecular FormulaC12H12F12O2
Molecular Weight416.20 g/mol
Exact Mass416.06
IUPAC Name2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C12H12F12O2/c13-6(14)1-8(15,16)2-9(17,18)3-10(19,20)4-11(21,22)5-12(23,24)7(25)26/h6H,1-5H2,(H,25,26)
InChIKeyDRGBCPCUASRQQM-UHFFFAOYSA-N
XLogP5.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.20
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Suberic acid
CID 10457
Perfluorooctanoic acid
CID 9554
Perfluorononanoic acid
CID 67821
Perfluorodecanoic acid
CID 9555
Perfluoroundecanoic acid
CID 77222
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
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid
CID 15243
Perfluorotetradecanoic acid
CID 67822
Perfluorooctadecanoic acid
CID 167547
Perfluorotridecanoic acid
CID 3018355

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid (CID 139594787) is 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid is O=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid?
The InChIKey is DRGBCPCUASRQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F12O2/c13-6(14)1-8(15,16)2-9(17,18)3-10(19,20)4-11(21,22)5-12(23,24)7(25)26/h6H,1-5H2,(H,25,26).
What are the key properties of 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid?
2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid has a molecular weight of 416.20 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid is sourced from PubChem (CID 139594787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).