3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid

C10H16F3NO2 — CID 123970249

IUPAC3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid
SMILESCC1C(C)C1N(C)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-5-6(2)9(5)14(3)7(4-8(15)16)10(11,12)13/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyHWKBPIWCNYSXCE-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.98
Rot. Bonds4

About 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid

3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid (PubChem CID 123970249) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid
PubChem CID123970249
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid
SMILESCC1C(C)C1N(C)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-5-6(2)9(5)14(3)7(4-8(15)16)10(11,12)13/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyHWKBPIWCNYSXCE-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid (CID 123970249) is 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid is CC1C(C)C1N(C)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid?
The InChIKey is HWKBPIWCNYSXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-5-6(2)9(5)14(3)7(4-8(15)16)10(11,12)13/h5-7,9H,4H2,1-3H3,(H,15,16).
What are the key properties of 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid?
3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid has a molecular weight of 239.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 123970249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).