4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

C15H11F4N — CID 107289624

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESFc1ccc(-c2cccc3c2CCN3)cc1C(F)(F)F
InChIInChI=1S/C15H11F4N/c16-13-5-4-9(8-12(13)15(17,18)19)10-2-1-3-14-11(10)6-7-20-14/h1-5,8,20H,6-7H2
InChIKeyLBQDOOQFHSRWMU-UHFFFAOYSA-N
MW281.25 g/mol
LogP4.48
Rot. Bonds1

About 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 107289624) has the molecular formula C15H11F4N and a molecular weight of 281.25 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID107289624
Molecular FormulaC15H11F4N
Molecular Weight281.25 g/mol
Exact Mass281.08
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESFc1ccc(-c2cccc3c2CCN3)cc1C(F)(F)F
InChIInChI=1S/C15H11F4N/c16-13-5-4-9(8-12(13)15(17,18)19)10-2-1-3-14-11(10)6-7-20-14/h1-5,8,20H,6-7H2
InChIKeyLBQDOOQFHSRWMU-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (CID 107289624) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is Fc1ccc(-c2cccc3c2CCN3)cc1C(F)(F)F.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is LBQDOOQFHSRWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N/c16-13-5-4-9(8-12(13)15(17,18)19)10-2-1-3-14-11(10)6-7-20-14/h1-5,8,20H,6-7H2.
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole has a molecular weight of 281.25 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 107289624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).