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

C6H8F7NO3 — CID 86075943

IUPAC2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid
SMILESNCCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O2.C2H7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11;3-1-2-4/h(H,12,13);4H,1-3H2
InChIKeyGBCKKCSOWYSPAX-UHFFFAOYSA-N
MW275.12 g/mol
LogP0.84
Rot. Bonds3

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

2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid (PubChem CID 86075943) has the molecular formula C6H8F7NO3 and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid.

Molecular Properties

Compound Name2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid
PubChem CID86075943
Molecular FormulaC6H8F7NO3
Molecular Weight275.12 g/mol
Exact Mass275.04
IUPAC Name2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid
SMILESNCCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O2.C2H7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11;3-1-2-4/h(H,12,13);4H,1-3H2
InChIKeyGBCKKCSOWYSPAX-UHFFFAOYSA-N
XLogP0.84
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 50.84
H-Bond Donors ≤ 53
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-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The IUPAC name of 2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid (CID 86075943) is 2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid.
What is the SMILES notation for 2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The canonical SMILES for 2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid is NCCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid?
The InChIKey is GBCKKCSOWYSPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O2.C2H7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11;3-1-2-4/h(H,12,13);4H,1-3H2.
What are the key properties of 2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid?
2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid has a molecular weight of 275.12 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid is sourced from PubChem (CID 86075943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).