5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

C15H11F4N — CID 107289622

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESFc1ccc(-c2ccc3c(c2)CCN3)cc1C(F)(F)F
InChIInChI=1S/C15H11F4N/c16-13-3-1-10(8-12(13)15(17,18)19)9-2-4-14-11(7-9)5-6-20-14/h1-4,7-8,20H,5-6H2
InChIKeyXDZCHJFVQMBKHA-UHFFFAOYSA-N
MW281.25 g/mol
LogP4.48
Rot. Bonds1

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

5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 107289622) has the molecular formula C15H11F4N and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID107289622
Molecular FormulaC15H11F4N
Molecular Weight281.25 g/mol
Exact Mass281.08
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESFc1ccc(-c2ccc3c(c2)CCN3)cc1C(F)(F)F
InChIInChI=1S/C15H11F4N/c16-13-3-1-10(8-12(13)15(17,18)19)9-2-4-14-11(7-9)5-6-20-14/h1-4,7-8,20H,5-6H2
InChIKeyXDZCHJFVQMBKHA-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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Related Compounds

7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
CID 107290133
4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 107289624
5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
CID 143690522
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
CID 106878936
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole
CID 84699877
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide
CID 174559567
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (CID 107289622) is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is Fc1ccc(-c2ccc3c(c2)CCN3)cc1C(F)(F)F.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is XDZCHJFVQMBKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N/c16-13-3-1-10(8-12(13)15(17,18)19)9-2-4-14-11(7-9)5-6-20-14/h1-4,7-8,20H,5-6H2.
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
5-[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 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 107289622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).