2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine

C11H13F2N — CID 112567178

IUPAC2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine
SMILESNCC(F)(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C11H13F2N/c12-10-5-3-9(4-6-10)11(13,7-14)8-1-2-8/h3-6,8H,1-2,7,14H2
InChIKeyYEJNFQFSJVLZGW-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.36
Rot. Bonds3

About 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine

2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine (PubChem CID 112567178) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine
PubChem CID112567178
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine
SMILESNCC(F)(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C11H13F2N/c12-10-5-3-9(4-6-10)11(13,7-14)8-1-2-8/h3-6,8H,1-2,7,14H2
InChIKeyYEJNFQFSJVLZGW-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine 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 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine (CID 112567178) is 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine is NCC(F)(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine?
The InChIKey is YEJNFQFSJVLZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-10-5-3-9(4-6-10)11(13,7-14)8-1-2-8/h3-6,8H,1-2,7,14H2.
What are the key properties of 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine?
2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine has a molecular weight of 197.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 112567178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).