1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone

C15H16F3NO — CID 11161872

IUPAC1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone
SMILESCCCCc1cc2cc(C(F)(F)F)ccc2n1C(C)=O
InChIInChI=1S/C15H16F3NO/c1-3-4-5-13-9-11-8-12(15(16,17)18)6-7-14(11)19(13)10(2)20/h6-9H,3-5H2,1-2H3
InChIKeyVHGGKURQTDVLAO-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.66
Rot. Bonds3

About 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone

1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone (PubChem CID 11161872) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone
PubChem CID11161872
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone
SMILESCCCCc1cc2cc(C(F)(F)F)ccc2n1C(C)=O
InChIInChI=1S/C15H16F3NO/c1-3-4-5-13-9-11-8-12(15(16,17)18)6-7-14(11)19(13)10(2)20/h6-9H,3-5H2,1-2H3
InChIKeyVHGGKURQTDVLAO-UHFFFAOYSA-N
XLogP4.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 72547489
1-(2-octylindol-1-yl)ethanone
CID 16726259
2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid
CID 73333008
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432
1-methyl-2-pentadecylindole-5-carboxylic acid
CID 12797267
ethyl 2-butyl-6-fluoroindole-1-carboxylate
CID 102168540
1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
CID 117121465
hexyl 2-[6-(trifluoromethyl)naphthalen-2-yl]propanoate
CID 21412581
methyl 4-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoate
CID 44600156
1-(4-butyl-6-chloropyrimidin-2-yl)-5-(trifluoromethyl)benzimidazole
CID 22170049
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121456
methyl 4-[1-[(2-ethyl-1,3-benzoxazol-6-yl)sulfonyl]-5-(trifluoromethyl)indol-2-yl]butanoate
CID 142778961

Frequently Asked Questions

What is the IUPAC name of 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone?
The IUPAC name of 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone (CID 11161872) is 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone is CCCCc1cc2cc(C(F)(F)F)ccc2n1C(C)=O.
What is the InChIKey of 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone?
The InChIKey is VHGGKURQTDVLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-3-4-5-13-9-11-8-12(15(16,17)18)6-7-14(11)19(13)10(2)20/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone?
1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone has a molecular weight of 283.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone is sourced from PubChem (CID 11161872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).