4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine

C16H14F3N — CID 22400284

IUPAC4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1-c1ccc(C(F)(F)F)cc1)CCC2
InChIInChI=1S/C16H14F3N/c17-16(18,19)12-7-4-11(5-8-12)15-13-3-1-2-10(13)6-9-14(15)20/h4-9H,1-3,20H2
InChIKeyNWLPEBKHJUHUDR-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.44
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine

4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 22400284) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID22400284
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1-c1ccc(C(F)(F)F)cc1)CCC2
InChIInChI=1S/C16H14F3N/c17-16(18,19)12-7-4-11(5-8-12)15-13-3-1-2-10(13)6-9-14(15)20/h4-9H,1-3,20H2
InChIKeyNWLPEBKHJUHUDR-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine (CID 22400284) is 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1-c1ccc(C(F)(F)F)cc1)CCC2.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is NWLPEBKHJUHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-16(18,19)12-7-4-11(5-8-12)15-13-3-1-2-10(13)6-9-14(15)20/h4-9H,1-3,20H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine?
4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 277.29 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 22400284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).