6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine

C16H21ClF3N — CID 83066120

IUPAC6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCCC(F)(F)F
InChIInChI=1S/C16H21ClF3N/c1-15(2)10-11-5-6-12(17)9-13(11)14(15)21-8-4-3-7-16(18,19)20/h5-6,9,14,21H,3-4,7-8,10H2,1-2H3
InChIKeyFPWIRIBLRIKROJ-UHFFFAOYSA-N
MW319.80 g/mol
LogP5.29
Rot. Bonds5

About 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine (PubChem CID 83066120) has the molecular formula C16H21ClF3N and a molecular weight of 319.80 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine
PubChem CID83066120
Molecular FormulaC16H21ClF3N
Molecular Weight319.80 g/mol
Exact Mass319.13
IUPAC Name6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCCC(F)(F)F
InChIInChI=1S/C16H21ClF3N/c1-15(2)10-11-5-6-12(17)9-13(11)14(15)21-8-4-3-7-16(18,19)20/h5-6,9,14,21H,3-4,7-8,10H2,1-2H3
InChIKeyFPWIRIBLRIKROJ-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine (CID 83066120) is 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCCCCC(F)(F)F.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine?
The InChIKey is FPWIRIBLRIKROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N/c1-15(2)10-11-5-6-12(17)9-13(11)14(15)21-8-4-3-7-16(18,19)20/h5-6,9,14,21H,3-4,7-8,10H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine has a molecular weight of 319.80 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).