2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid

C8H12F7NO3 — CID 86075920

IUPAC2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid
SMILESCN(C)CCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O2.C4H11NO/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-5(2)3-4-6/h(H,12,13);6H,3-4H2,1-2H3
InChIKeyYBFCVDWETOTTCP-UHFFFAOYSA-N
MW303.17 g/mol
LogP1.44
Rot. Bonds4

About 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid

2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid (PubChem CID 86075920) has the molecular formula C8H12F7NO3 and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid
PubChem CID86075920
Molecular FormulaC8H12F7NO3
Molecular Weight303.17 g/mol
Exact Mass303.07
IUPAC Name2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid
SMILESCN(C)CCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O2.C4H11NO/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-5(2)3-4-6/h(H,12,13);6H,3-4H2,1-2H3
InChIKeyYBFCVDWETOTTCP-UHFFFAOYSA-N
XLogP1.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The IUPAC name of 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid (CID 86075920) is 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid is CN(C)CCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The InChIKey is YBFCVDWETOTTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O2.C4H11NO/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-5(2)3-4-6/h(H,12,13);6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid?
2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid has a molecular weight of 303.17 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid is sourced from PubChem (CID 86075920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).