2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid

C13H15F4NO2 — CID 175967076

IUPAC2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESNCCC1(c2ccc(F)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14FN.C2HF3O2/c12-10-3-1-9(2-4-10)11(5-6-11)7-8-13;3-2(4,5)1(6)7/h1-4H,5-8,13H2;(H,6,7)
InChIKeyRKMAFSWDTZCEBA-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.84
Rot. Bonds3

About 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid

2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 175967076) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID175967076
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESNCCC1(c2ccc(F)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14FN.C2HF3O2/c12-10-3-1-9(2-4-10)11(5-6-11)7-8-13;3-2(4,5)1(6)7/h1-4H,5-8,13H2;(H,6,7)
InChIKeyRKMAFSWDTZCEBA-UHFFFAOYSA-N
XLogP2.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid (CID 175967076) is 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid is NCCC1(c2ccc(F)cc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is RKMAFSWDTZCEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN.C2HF3O2/c12-10-3-1-9(2-4-10)11(5-6-11)7-8-13;3-2(4,5)1(6)7/h1-4H,5-8,13H2;(H,6,7).
What are the key properties of 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid?
2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 293.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)cyclopropyl]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175967076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).