N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine

C13H15F2N — CID 151369877

IUPACN-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine
SMILESCCN(CC(F)F)C1C=Cc2ccccc21
InChIInChI=1S/C13H15F2N/c1-2-16(9-13(14)15)12-8-7-10-5-3-4-6-11(10)12/h3-8,12-13H,2,9H2,1H3
InChIKeyOQFCDJHCNUSBTQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.34
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine

N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine (PubChem CID 151369877) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine
PubChem CID151369877
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine
SMILESCCN(CC(F)F)C1C=Cc2ccccc21
InChIInChI=1S/C13H15F2N/c1-2-16(9-13(14)15)12-8-7-10-5-3-4-6-11(10)12/h3-8,12-13H,2,9H2,1H3
InChIKeyOQFCDJHCNUSBTQ-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-N,N-bis(prop-2-enyl)-1H-inden-1-amine
CID 141284861
CID 18688288
CID 18688288
decyl(1H-inden-1-yl)cyanamide
CID 151582376
CID 173341423
CID 173341423
CID 140993072
CID 140993072
CID 67783575
CID 67783575
CID 10809432
CID 10809432
CID 119077465
CID 119077465
lithium;hydride;triethyl(1H-inden-1-yl)silane
CID 173341562
CID 119077184
CID 119077184
sodium;ethyl-tris(1H-inden-1-yl)silane;hydride
CID 173341376
1-butyl-1H-indene;zirconium
CID 175289141

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine (CID 151369877) is N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine is CCN(CC(F)F)C1C=Cc2ccccc21.
What is the InChIKey of N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine?
The InChIKey is OQFCDJHCNUSBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N/c1-2-16(9-13(14)15)12-8-7-10-5-3-4-6-11(10)12/h3-8,12-13H,2,9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine?
N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine has a molecular weight of 223.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine is sourced from PubChem (CID 151369877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).