7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

C15H11ClF3N — CID 3403693

IUPAC7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1ccccc1C1Cc2cccc(Cl)c2N1
InChIInChI=1S/C15H11ClF3N/c16-12-7-3-4-9-8-13(20-14(9)12)10-5-1-2-6-11(10)15(17,18)19/h1-7,13,20H,8H2
InChIKeySWIPJGOKAJBQOY-UHFFFAOYSA-N
MW297.71 g/mol
LogP5.07
Rot. Bonds1

About 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 3403693) has the molecular formula C15H11ClF3N and a molecular weight of 297.71 g/mol. Its IUPAC name is 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID3403693
Molecular FormulaC15H11ClF3N
Molecular Weight297.71 g/mol
Exact Mass297.05
IUPAC Name7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1ccccc1C1Cc2cccc(Cl)c2N1
InChIInChI=1S/C15H11ClF3N/c16-12-7-3-4-9-8-13(20-14(9)12)10-5-1-2-6-11(10)15(17,18)19/h1-7,13,20H,8H2
InChIKeySWIPJGOKAJBQOY-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.71
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (CID 3403693) is 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is FC(F)(F)c1ccccc1C1Cc2cccc(Cl)c2N1.
What is the InChIKey of 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is SWIPJGOKAJBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N/c16-12-7-3-4-9-8-13(20-14(9)12)10-5-1-2-6-11(10)15(17,18)19/h1-7,13,20H,8H2.
What are the key properties of 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole has a molecular weight of 297.71 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 3403693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).