3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole

C23H17F6NO — CID 118007889

IUPAC3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole
SMILESFC(F)(F)Oc1cccc(CC2(c3cccc(C(F)(F)F)c3)CNc3ccccc32)c1
InChIInChI=1S/C23H17F6NO/c24-22(25,26)17-7-4-6-16(12-17)21(14-30-20-10-2-1-9-19(20)21)13-15-5-3-8-18(11-15)31-23(27,28)29/h1-12,30H,13-14H2
InChIKeyRSFJNRNCSARWFM-UHFFFAOYSA-N
MW437.38 g/mol
LogP6.56
Rot. Bonds4

About 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole

3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole (PubChem CID 118007889) has the molecular formula C23H17F6NO and a molecular weight of 437.38 g/mol. Its IUPAC name is 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole.

Molecular Properties

Compound Name3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole
PubChem CID118007889
Molecular FormulaC23H17F6NO
Molecular Weight437.38 g/mol
Exact Mass437.12
IUPAC Name3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole
SMILESFC(F)(F)Oc1cccc(CC2(c3cccc(C(F)(F)F)c3)CNc3ccccc32)c1
InChIInChI=1S/C23H17F6NO/c24-22(25,26)17-7-4-6-16(12-17)21(14-30-20-10-2-1-9-19(20)21)13-15-5-3-8-18(11-15)31-23(27,28)29/h1-12,30H,13-14H2
InChIKeyRSFJNRNCSARWFM-UHFFFAOYSA-N
XLogP6.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 118014020
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
3-[3-[(3-bromophenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 123784785
methyl 3-[[3-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)-2H-indol-3-yl]methyl]benzoate
CID 123716958
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
ethane;methyl 3-[[3-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)-2H-indol-3-yl]methyl]benzoate
CID 144828262
3-methyl-1-[3-[[3-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)-2H-indol-3-yl]methyl]phenyl]azetidin-3-ol
CID 123710314
carbon dioxide;(2R)-1,1,1-trifluoro-3-[3-[4-methyl-3-(2-methylphenyl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 158023663
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 59192639
(2R)-3-[3-[[3-(3,3-difluoropyrrolidin-1-yl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 118014524

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole?
The IUPAC name of 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole (CID 118007889) is 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole.
What is the SMILES notation for 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole?
The canonical SMILES for 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole is FC(F)(F)Oc1cccc(CC2(c3cccc(C(F)(F)F)c3)CNc3ccccc32)c1.
What is the InChIKey of 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole?
The InChIKey is RSFJNRNCSARWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6NO/c24-22(25,26)17-7-4-6-16(12-17)21(14-30-20-10-2-1-9-19(20)21)13-15-5-3-8-18(11-15)31-23(27,28)29/h1-12,30H,13-14H2.
What are the key properties of 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole?
3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole has a molecular weight of 437.38 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole is sourced from PubChem (CID 118007889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).