2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid

C8H4F12O3 — CID 71425836

IUPAC2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid
SMILESO=C(O)COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F12O3/c9-3(5(12,13)23-1-2(21)22)4(10,11)6(14,15)7(16,17)8(18,19)20/h3H,1H2,(H,21,22)
InChIKeyIHDYADYLSULBLI-UHFFFAOYSA-N
MW376.09 g/mol
LogP3.49
Rot. Bonds7

About 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid

2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid (PubChem CID 71425836) has the molecular formula C8H4F12O3 and a molecular weight of 376.09 g/mol. Its IUPAC name is 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid.

Molecular Properties

Compound Name2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid
PubChem CID71425836
Molecular FormulaC8H4F12O3
Molecular Weight376.09 g/mol
Exact Mass376.00
IUPAC Name2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid
SMILESO=C(O)COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F12O3/c9-3(5(12,13)23-1-2(21)22)4(10,11)6(14,15)7(16,17)8(18,19)20/h3H,1H2,(H,21,22)
InChIKeyIHDYADYLSULBLI-UHFFFAOYSA-N
XLogP3.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane
CID 175759806
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl carbonochloridate
CID 87686124
2-[1,1,2-trifluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetic acid
CID 162396615
3,4,4,5,5,6,6,7,7,7-decafluoroheptanoic acid
CID 163324510
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecanoic acid
CID 139595127
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl prop-2-enoate
CID 21087786
carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium
CID 165364686
10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane
CID 19765940
3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
CID 10575809
1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
CID 91384893
2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid
CID 102362717
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)propanedioic acid
CID 21282521

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid?
The IUPAC name of 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid (CID 71425836) is 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid.
What is the SMILES notation for 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid?
The canonical SMILES for 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid is O=C(O)COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid?
The InChIKey is IHDYADYLSULBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O3/c9-3(5(12,13)23-1-2(21)22)4(10,11)6(14,15)7(16,17)8(18,19)20/h3H,1H2,(H,21,22).
What are the key properties of 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid?
2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid has a molecular weight of 376.09 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid is sourced from PubChem (CID 71425836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).