N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine

C11H11ClF2N2 — CID 115406062

IUPACN-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C11H11ClF2N2/c12-11-7-3-1-2-4-8(7)16-9(11)5-15-6-10(13)14/h1-4,10,15-16H,5-6H2
InChIKeyATJJRJNDCDQBEL-UHFFFAOYSA-N
MW244.67 g/mol
LogP3.18
Rot. Bonds4

About N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine

N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115406062) has the molecular formula C11H11ClF2N2 and a molecular weight of 244.67 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID115406062
Molecular FormulaC11H11ClF2N2
Molecular Weight244.67 g/mol
Exact Mass244.06
IUPAC NameN-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C11H11ClF2N2/c12-11-7-3-1-2-4-8(7)16-9(11)5-15-6-10(13)14/h1-4,10,15-16H,5-6H2
InChIKeyATJJRJNDCDQBEL-UHFFFAOYSA-N
XLogP3.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(3-chloro-1H-indol-2-yl)methyl]-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-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine (CID 115406062) is N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is ATJJRJNDCDQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2/c12-11-7-3-1-2-4-8(7)16-9(11)5-15-6-10(13)14/h1-4,10,15-16H,5-6H2.
What are the key properties of N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine?
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 244.67 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115406062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).