ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid

C11H24F3NO2 — CID 143432700

IUPACethane;4,4,4-trifluoro-3-(propylamino)butanoic acid
SMILESCC.CC.CCCNC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2.2C2H6/c1-2-3-11-5(4-6(12)13)7(8,9)10;2*1-2/h5,11H,2-4H2,1H3,(H,12,13);2*1-2H3
InChIKeyDMKRWZQAOLGGIL-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.44
Rot. Bonds5

About ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid

ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid (PubChem CID 143432700) has the molecular formula C11H24F3NO2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid.

Molecular Properties

Compound Nameethane;4,4,4-trifluoro-3-(propylamino)butanoic acid
PubChem CID143432700
Molecular FormulaC11H24F3NO2
Molecular Weight259.31 g/mol
Exact Mass259.18
IUPAC Nameethane;4,4,4-trifluoro-3-(propylamino)butanoic acid
SMILESCC.CC.CCCNC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2.2C2H6/c1-2-3-11-5(4-6(12)13)7(8,9)10;2*1-2/h5,11H,2-4H2,1H3,(H,12,13);2*1-2H3
InChIKeyDMKRWZQAOLGGIL-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid?
The IUPAC name of ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid (CID 143432700) is ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid.
What is the SMILES notation for ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid?
The canonical SMILES for ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid is CC.CC.CCCNC(CC(=O)O)C(F)(F)F.
What is the InChIKey of ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid?
The InChIKey is DMKRWZQAOLGGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2.2C2H6/c1-2-3-11-5(4-6(12)13)7(8,9)10;2*1-2/h5,11H,2-4H2,1H3,(H,12,13);2*1-2H3.
What are the key properties of ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid?
ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid is sourced from PubChem (CID 143432700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).