2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid

C9H4F14O2 — CID 131700988

IUPAC2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid
SMILESCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C9H4F14O2/c1-3(10,9(21,22)23)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(24)25/h1H3,(H,24,25)
InChIKeyCYIUUFDKNMJANU-UHFFFAOYSA-N
MW410.10 g/mol
LogP4.54
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid

2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid (PubChem CID 131700988) has the molecular formula C9H4F14O2 and a molecular weight of 410.10 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid
PubChem CID131700988
Molecular FormulaC9H4F14O2
Molecular Weight410.10 g/mol
Exact Mass410.00
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid
SMILESCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C9H4F14O2/c1-3(10,9(21,22)23)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(24)25/h1H3,(H,24,25)
InChIKeyCYIUUFDKNMJANU-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.10
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid (CID 131700988) is 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid is CC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid?
The InChIKey is CYIUUFDKNMJANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F14O2/c1-3(10,9(21,22)23)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(24)25/h1H3,(H,24,25).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid?
2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid has a molecular weight of 410.10 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-methyloctanoic acid is sourced from PubChem (CID 131700988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).