7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole

C12H12F3NO2 — CID 174702036

IUPAC7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole
SMILESCOCCc1ccc(OC(F)(F)F)c2cc[nH]c12
InChIInChI=1S/C12H12F3NO2/c1-17-7-5-8-2-3-10(18-12(13,14)15)9-4-6-16-11(8)9/h2-4,6,16H,5,7H2,1H3
InChIKeyWIAWJAYBJIUFDO-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.26
Rot. Bonds4

About 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole

7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole (PubChem CID 174702036) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole.

Molecular Properties

Compound Name7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole
PubChem CID174702036
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole
SMILESCOCCc1ccc(OC(F)(F)F)c2cc[nH]c12
InChIInChI=1S/C12H12F3NO2/c1-17-7-5-8-2-3-10(18-12(13,14)15)9-4-6-16-11(8)9/h2-4,6,16H,5,7H2,1H3
InChIKeyWIAWJAYBJIUFDO-UHFFFAOYSA-N
XLogP3.26
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine
CID 117294827
1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine
CID 139966129
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873522
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139873105
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
CID 57228366
5-fluoro-6-(trifluoromethoxy)-1H-indole
CID 142439900
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-[2-[4-(3-methoxypropyl)cyclohexyl]ethyl]naphthalene
CID 139871903
6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene
CID 151992446
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole?
The IUPAC name of 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole (CID 174702036) is 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole.
What is the SMILES notation for 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole?
The canonical SMILES for 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole is COCCc1ccc(OC(F)(F)F)c2cc[nH]c12.
What is the InChIKey of 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole?
The InChIKey is WIAWJAYBJIUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-17-7-5-8-2-3-10(18-12(13,14)15)9-4-6-16-11(8)9/h2-4,6,16H,5,7H2,1H3.
What are the key properties of 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole?
7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole has a molecular weight of 259.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole is sourced from PubChem (CID 174702036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).