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

C14H14F3NO — CID 117121465

IUPAC1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
SMILESCC(=O)c1cc2cc(C(F)(F)F)ccc2n1C(C)C
InChIInChI=1S/C14H14F3NO/c1-8(2)18-12-5-4-11(14(15,16)17)6-10(12)7-13(18)9(3)19/h4-8H,1-3H3
InChIKeyBHXWMIMBEXCLIJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.44
Rot. Bonds2

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

1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone (PubChem CID 117121465) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
PubChem CID117121465
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
SMILESCC(=O)c1cc2cc(C(F)(F)F)ccc2n1C(C)C
InChIInChI=1S/C14H14F3NO/c1-8(2)18-12-5-4-11(14(15,16)17)6-10(12)7-13(18)9(3)19/h4-8H,1-3H3
InChIKeyBHXWMIMBEXCLIJ-UHFFFAOYSA-N
XLogP4.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
CID 115072108
3-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]butanoic acid
CID 117121481
1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 72547489
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468
1-[1-propan-2-yl-6-(trifluoromethyl)indol-2-yl]propan-2-one
CID 117195786
3-[[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207682
1-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 117122110
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550
1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 11161872
methyl 1-hydroxy-5-[4-(trifluoromethyl)phenyl]indole-2-carboxylate
CID 162538485
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432

Frequently Asked Questions

What is the IUPAC name of 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone?
The IUPAC name of 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone (CID 117121465) is 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone.
What is the SMILES notation for 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone?
The canonical SMILES for 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone is CC(=O)c1cc2cc(C(F)(F)F)ccc2n1C(C)C.
What is the InChIKey of 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone?
The InChIKey is BHXWMIMBEXCLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-8(2)18-12-5-4-11(14(15,16)17)6-10(12)7-13(18)9(3)19/h4-8H,1-3H3.
What are the key properties of 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone?
1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone has a molecular weight of 269.27 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone is sourced from PubChem (CID 117121465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).