butane;2,2,3,3,4,4,4-heptafluorobutanoic acid

C8H11F7O2 — CID 173358412

IUPACbutane;2,2,3,3,4,4,4-heptafluorobutanoic acid
SMILESCCCC.O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O2.C4H10/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-3-4-2/h(H,12,13);3-4H2,1-2H3
InChIKeyIGSDZPNCGZULGY-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.71
Rot. Bonds3

About butane;2,2,3,3,4,4,4-heptafluorobutanoic acid

butane;2,2,3,3,4,4,4-heptafluorobutanoic acid (PubChem CID 173358412) has the molecular formula C8H11F7O2 and a molecular weight of 272.16 g/mol. Its IUPAC name is butane;2,2,3,3,4,4,4-heptafluorobutanoic acid.

Molecular Properties

Compound Namebutane;2,2,3,3,4,4,4-heptafluorobutanoic acid
PubChem CID173358412
Molecular FormulaC8H11F7O2
Molecular Weight272.16 g/mol
Exact Mass272.06
IUPAC Namebutane;2,2,3,3,4,4,4-heptafluorobutanoic acid
SMILESCCCC.O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O2.C4H10/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-3-4-2/h(H,12,13);3-4H2,1-2H3
InChIKeyIGSDZPNCGZULGY-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.71
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

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Frequently Asked Questions

What is the IUPAC name of butane;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The IUPAC name of butane;2,2,3,3,4,4,4-heptafluorobutanoic acid (CID 173358412) is butane;2,2,3,3,4,4,4-heptafluorobutanoic acid.
What is the SMILES notation for butane;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The canonical SMILES for butane;2,2,3,3,4,4,4-heptafluorobutanoic acid is CCCC.O=C(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of butane;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The InChIKey is IGSDZPNCGZULGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O2.C4H10/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-3-4-2/h(H,12,13);3-4H2,1-2H3.
What are the key properties of butane;2,2,3,3,4,4,4-heptafluorobutanoic acid?
butane;2,2,3,3,4,4,4-heptafluorobutanoic acid has a molecular weight of 272.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,2,3,3,4,4,4-heptafluorobutanoic acid is sourced from PubChem (CID 173358412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).