N-benzyl-2,2-difluoroethanamine

C9H11F2N — CID 50896648

IUPACN-benzyl-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccccc1
InChIInChI=1S/C9H11F2N/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKeyOUSJSLQIBWQADW-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.04
Rot. Bonds4

About N-benzyl-2,2-difluoroethanamine

N-benzyl-2,2-difluoroethanamine (PubChem CID 50896648) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is N-benzyl-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-benzyl-2,2-difluoroethanamine
PubChem CID50896648
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC NameN-benzyl-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccccc1
InChIInChI=1S/C9H11F2N/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKeyOUSJSLQIBWQADW-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2,2-difluoroethanamine 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 N-benzyl-2,2-difluoroethanamine?
The IUPAC name of N-benzyl-2,2-difluoroethanamine (CID 50896648) is N-benzyl-2,2-difluoroethanamine.
What is the SMILES notation for N-benzyl-2,2-difluoroethanamine?
The canonical SMILES for N-benzyl-2,2-difluoroethanamine is FC(F)CNCc1ccccc1.
What is the InChIKey of N-benzyl-2,2-difluoroethanamine?
The InChIKey is OUSJSLQIBWQADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2.
What are the key properties of N-benzyl-2,2-difluoroethanamine?
N-benzyl-2,2-difluoroethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-difluoroethanamine is sourced from PubChem (CID 50896648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).