3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid

C7H10F3NO2 — CID 83818781

IUPAC3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid
SMILESO=C(O)CC(NC1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(3-6(12)13)11-4-1-2-4/h4-5,11H,1-3H2,(H,12,13)
InChIKeyZIZKJDUNKXWJOM-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.14
Rot. Bonds4

About 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid

3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid (PubChem CID 83818781) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid
PubChem CID83818781
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid
SMILESO=C(O)CC(NC1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(3-6(12)13)11-4-1-2-4/h4-5,11H,1-3H2,(H,12,13)
InChIKeyZIZKJDUNKXWJOM-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid (CID 83818781) is 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid is O=C(O)CC(NC1CC1)C(F)(F)F.
What is the InChIKey of 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid?
The InChIKey is ZIZKJDUNKXWJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5(3-6(12)13)11-4-1-2-4/h4-5,11H,1-3H2,(H,12,13).
What are the key properties of 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid?
3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid has a molecular weight of 197.16 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 83818781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).