6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole

C15H9F4N — CID 90905265

IUPAC6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
SMILESFc1cc(-c2ccc3cc[nH]c3c2)ccc1C(F)(F)F
InChIInChI=1S/C15H9F4N/c16-13-7-10(3-4-12(13)15(17,18)19)11-2-1-9-5-6-20-14(9)8-11/h1-8,20H
InChIKeyGILPHXXGHCZNGK-UHFFFAOYSA-N
MW279.24 g/mol
LogP4.99
Rot. Bonds1

About 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole

6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole (PubChem CID 90905265) has the molecular formula C15H9F4N and a molecular weight of 279.24 g/mol. Its IUPAC name is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole.

Molecular Properties

Compound Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
PubChem CID90905265
Molecular FormulaC15H9F4N
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
SMILESFc1cc(-c2ccc3cc[nH]c3c2)ccc1C(F)(F)F
InChIInChI=1S/C15H9F4N/c16-13-7-10(3-4-12(13)15(17,18)19)11-2-1-9-5-6-20-14(9)8-11/h1-8,20H
InChIKeyGILPHXXGHCZNGK-UHFFFAOYSA-N
XLogP4.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-difluoro-4-(1H-indol-6-yl)aniline
CID 19803477
6-(3-chlorophenyl)-1H-indole
CID 22049229
5,6-bis(trifluoromethyl)-1H-indole
CID 175260165
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid
CID 168510074
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
6-(2,4-difluorophenyl)-1H-indole
CID 59107896
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
6-pyridin-4-yl-1H-indole
CID 46315865
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
(1R)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine
CID 66510965
2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 90835999
3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413452

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole?
The IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole (CID 90905265) is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole.
What is the SMILES notation for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole?
The canonical SMILES for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole is Fc1cc(-c2ccc3cc[nH]c3c2)ccc1C(F)(F)F.
What is the InChIKey of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole?
The InChIKey is GILPHXXGHCZNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N/c16-13-7-10(3-4-12(13)15(17,18)19)11-2-1-9-5-6-20-14(9)8-11/h1-8,20H.
What are the key properties of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole?
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole has a molecular weight of 279.24 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole is sourced from PubChem (CID 90905265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).