5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole

C12H12F3NO — CID 102104245

IUPAC5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
SMILESCOc1ccc2[nH]cc(CCC(F)(F)F)c2c1
InChIInChI=1S/C12H12F3NO/c1-17-9-2-3-11-10(6-9)8(7-16-11)4-5-12(13,14)15/h2-3,6-7,16H,4-5H2,1H3
InChIKeyAAPVIEPOHHMLDD-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.67
Rot. Bonds3

About 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole

5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole (PubChem CID 102104245) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
PubChem CID102104245
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
SMILESCOc1ccc2[nH]cc(CCC(F)(F)F)c2c1
InChIInChI=1S/C12H12F3NO/c1-17-9-2-3-11-10(6-9)8(7-16-11)4-5-12(13,14)15/h2-3,6-7,16H,4-5H2,1H3
InChIKeyAAPVIEPOHHMLDD-UHFFFAOYSA-N
XLogP3.67
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
CID 135044105
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium
CID 86307010

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole?
The IUPAC name of 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole (CID 102104245) is 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole.
What is the SMILES notation for 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole?
The canonical SMILES for 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole is COc1ccc2[nH]cc(CCC(F)(F)F)c2c1.
What is the InChIKey of 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole?
The InChIKey is AAPVIEPOHHMLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-17-9-2-3-11-10(6-9)8(7-16-11)4-5-12(13,14)15/h2-3,6-7,16H,4-5H2,1H3.
What are the key properties of 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole?
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole has a molecular weight of 243.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole is sourced from PubChem (CID 102104245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).