cyclopropanamine;bis(2,2,2-trifluoroacetic acid)

C7H9F6NO4 — CID 162300046

IUPACcyclopropanamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7N.2C2HF3O2/c4-3-1-2-3;2*3-2(4,5)1(6)7/h3H,1-2,4H2;2*(H,6,7)
InChIKeyWITOJYBBWOWWGH-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.37
Rot. Bonds

About cyclopropanamine;bis(2,2,2-trifluoroacetic acid)

cyclopropanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 162300046) has the molecular formula C7H9F6NO4 and a molecular weight of 285.14 g/mol. Its IUPAC name is cyclopropanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namecyclopropanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID162300046
Molecular FormulaC7H9F6NO4
Molecular Weight285.14 g/mol
Exact Mass285.04
IUPAC Namecyclopropanamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7N.2C2HF3O2/c4-3-1-2-3;2*3-2(4,5)1(6)7/h3H,1-2,4H2;2*(H,6,7)
InChIKeyWITOJYBBWOWWGH-UHFFFAOYSA-N
XLogP1.37
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cyclopropanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of cyclopropanamine;bis(2,2,2-trifluoroacetic acid) (CID 162300046) is cyclopropanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for cyclopropanamine;bis(2,2,2-trifluoroacetic acid) is NC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WITOJYBBWOWWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.2C2HF3O2/c4-3-1-2-3;2*3-2(4,5)1(6)7/h3H,1-2,4H2;2*(H,6,7).
What are the key properties of cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
cyclopropanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 285.14 g/mol, XLogP of 1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162300046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).