2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole

C16H13F4NO — CID 5134241

IUPAC2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(F)cc1C1Cc2cccc(C(F)(F)F)c2N1
InChIInChI=1S/C16H13F4NO/c1-22-14-6-5-10(17)8-11(14)13-7-9-3-2-4-12(15(9)21-13)16(18,19)20/h2-6,8,13,21H,7H2,1H3
InChIKeyQMVWHTYNOJHWNY-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.56
Rot. Bonds2

About 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole

2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 5134241) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID5134241
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(F)cc1C1Cc2cccc(C(F)(F)F)c2N1
InChIInChI=1S/C16H13F4NO/c1-22-14-6-5-10(17)8-11(14)13-7-9-3-2-4-12(15(9)21-13)16(18,19)20/h2-6,8,13,21H,7H2,1H3
InChIKeyQMVWHTYNOJHWNY-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3347331
7-chloro-2-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3469469
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3403693
2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole
CID 5023223
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3404384
(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 175530284
3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837207
6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3427840
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 5134241) is 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole is COc1ccc(F)cc1C1Cc2cccc(C(F)(F)F)c2N1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is QMVWHTYNOJHWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c1-22-14-6-5-10(17)8-11(14)13-7-9-3-2-4-12(15(9)21-13)16(18,19)20/h2-6,8,13,21H,7H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 311.28 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 5134241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).