2,2,3,3,4,4,5-heptafluoroundecanoic acid

C11H15F7O2 — CID 175755726

IUPAC2,2,3,3,4,4,5-heptafluoroundecanoic acid
SMILESCCCCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C11H15F7O2/c1-2-3-4-5-6-7(12)9(13,14)11(17,18)10(15,16)8(19)20/h7H,2-6H2,1H3,(H,19,20)
InChIKeyVENAAQYMSRNJMG-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.29
Rot. Bonds9

About 2,2,3,3,4,4,5-heptafluoroundecanoic acid

2,2,3,3,4,4,5-heptafluoroundecanoic acid (PubChem CID 175755726) has the molecular formula C11H15F7O2 and a molecular weight of 312.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptafluoroundecanoic acid.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoroundecanoic acid
PubChem CID175755726
Molecular FormulaC11H15F7O2
Molecular Weight312.23 g/mol
Exact Mass312.10
IUPAC Name2,2,3,3,4,4,5-heptafluoroundecanoic acid
SMILESCCCCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C11H15F7O2/c1-2-3-4-5-6-7(12)9(13,14)11(17,18)10(15,16)8(19)20/h7H,2-6H2,1H3,(H,19,20)
InChIKeyVENAAQYMSRNJMG-UHFFFAOYSA-N
XLogP4.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonic acid
CID 122480783
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
1,1,2,2,3,3,4,4,5,5,6-undecafluorododecane-1-sulfonic acid
CID 122480856
2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane
CID 151380849
potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate
CID 175345663
1,2-difluoroheptane-1,1-diol
CID 151949145
1,1,1,2,3,3,4-heptafluorodecan-2-ol
CID 139615340
2-(difluoromethyl)heptanoic acid
CID 14489844
nonan-3-ol;2,2,2-trifluoroacetic acid
CID 175151448
2,2-difluoro-2-octan-2-yloxyacetic acid
CID 43651907
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptafluoroundecanoic acid?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoroundecanoic acid (CID 175755726) is 2,2,3,3,4,4,5-heptafluoroundecanoic acid.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoroundecanoic acid?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoroundecanoic acid is CCCCCCC(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-heptafluoroundecanoic acid?
The InChIKey is VENAAQYMSRNJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7O2/c1-2-3-4-5-6-7(12)9(13,14)11(17,18)10(15,16)8(19)20/h7H,2-6H2,1H3,(H,19,20).
What are the key properties of 2,2,3,3,4,4,5-heptafluoroundecanoic acid?
2,2,3,3,4,4,5-heptafluoroundecanoic acid has a molecular weight of 312.23 g/mol, XLogP of 4.29, 9 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-heptafluoroundecanoic acid is sourced from PubChem (CID 175755726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).