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

C14H17ClF3N — CID 83067307

IUPAC6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCC(F)(F)F
InChIInChI=1S/C14H17ClF3N/c1-13(2)8-9-3-4-10(15)7-11(9)12(13)19-6-5-14(16,17)18/h3-4,7,12,19H,5-6,8H2,1-2H3
InChIKeyQFGUPIAIFRKJQJ-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.51
Rot. Bonds3

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

6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine (PubChem CID 83067307) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
PubChem CID83067307
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCC(F)(F)F
InChIInChI=1S/C14H17ClF3N/c1-13(2)8-9-3-4-10(15)7-11(9)12(13)19-6-5-14(16,17)18/h3-4,7,12,19H,5-6,8H2,1-2H3
InChIKeyQFGUPIAIFRKJQJ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-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-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine (CID 83067307) is 6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCCC(F)(F)F.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine?
The InChIKey is QFGUPIAIFRKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N/c1-13(2)8-9-3-4-10(15)7-11(9)12(13)19-6-5-14(16,17)18/h3-4,7,12,19H,5-6,8H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine has a molecular weight of 291.74 g/mol, XLogP of 4.51, 3 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-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83067307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).