2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone

C14H13F4NO2 — CID 66973635

IUPAC2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
SMILESCOCCn1cc(C(=O)C(F)(F)F)c2c(F)ccc(C)c21
InChIInChI=1S/C14H13F4NO2/c1-8-3-4-10(15)11-9(13(20)14(16,17)18)7-19(12(8)11)5-6-21-2/h3-4,7H,5-6H2,1-2H3
InChIKeyFWTRLRHTGCPGHA-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.48
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone

2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone (PubChem CID 66973635) has the molecular formula C14H13F4NO2 and a molecular weight of 303.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
PubChem CID66973635
Molecular FormulaC14H13F4NO2
Molecular Weight303.26 g/mol
Exact Mass303.09
IUPAC Name2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
SMILESCOCCn1cc(C(=O)C(F)(F)F)c2c(F)ccc(C)c21
InChIInChI=1S/C14H13F4NO2/c1-8-3-4-10(15)11-9(13(20)14(16,17)18)7-19(12(8)11)5-6-21-2/h3-4,7H,5-6H2,1-2H3
InChIKeyFWTRLRHTGCPGHA-UHFFFAOYSA-N
XLogP3.48
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone (CID 66973635) is 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone is COCCn1cc(C(=O)C(F)(F)F)c2c(F)ccc(C)c21.
What is the InChIKey of 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone?
The InChIKey is FWTRLRHTGCPGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c1-8-3-4-10(15)11-9(13(20)14(16,17)18)7-19(12(8)11)5-6-21-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone?
2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone has a molecular weight of 303.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone is sourced from PubChem (CID 66973635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).