5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine

C16H19ClF3N — CID 81296872

IUPAC5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)C1CCCC(NC2Cc3ccc(Cl)cc3C2)C1
InChIInChI=1S/C16H19ClF3N/c17-13-5-4-10-7-15(8-11(10)6-13)21-14-3-1-2-12(9-14)16(18,19)20/h4-6,12,14-15,21H,1-3,7-9H2
InChIKeyIRDDFUBFRDZWFR-UHFFFAOYSA-N
MW317.78 g/mol
LogP4.52
Rot. Bonds2

About 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 81296872) has the molecular formula C16H19ClF3N and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID81296872
Molecular FormulaC16H19ClF3N
Molecular Weight317.78 g/mol
Exact Mass317.12
IUPAC Name5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)C1CCCC(NC2Cc3ccc(Cl)cc3C2)C1
InChIInChI=1S/C16H19ClF3N/c17-13-5-4-10-7-15(8-11(10)6-13)21-14-3-1-2-12(9-14)16(18,19)20/h4-6,12,14-15,21H,1-3,7-9H2
InChIKeyIRDDFUBFRDZWFR-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine (CID 81296872) is 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine is FC(F)(F)C1CCCC(NC2Cc3ccc(Cl)cc3C2)C1.
What is the InChIKey of 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is IRDDFUBFRDZWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N/c17-13-5-4-10-7-15(8-11(10)6-13)21-14-3-1-2-12(9-14)16(18,19)20/h4-6,12,14-15,21H,1-3,7-9H2.
What are the key properties of 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 317.78 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81296872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).