1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one

C18H20F3NO2 — CID 162560069

IUPAC1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one
SMILESCCC(=O)n1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc21
InChIInChI=1S/C18H20F3NO2/c1-2-17(23)22-10-9-12-11-15(7-8-16(12)22)24-14-5-3-13(4-6-14)18(19,20)21/h7-11,13-14H,2-6H2,1H3
InChIKeyHBVQTPGTYSQAON-UHFFFAOYSA-N
MW339.36 g/mol
LogP5.19
Rot. Bonds3

About 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one

1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one (PubChem CID 162560069) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one
PubChem CID162560069
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one
SMILESCCC(=O)n1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc21
InChIInChI=1S/C18H20F3NO2/c1-2-17(23)22-10-9-12-11-15(7-8-16(12)22)24-14-5-3-13(4-6-14)18(19,20)21/h7-11,13-14H,2-6H2,1H3
InChIKeyHBVQTPGTYSQAON-UHFFFAOYSA-N
XLogP5.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one (CID 162560069) is 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one is CCC(=O)n1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc21.
What is the InChIKey of 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one?
The InChIKey is HBVQTPGTYSQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-2-17(23)22-10-9-12-11-15(7-8-16(12)22)24-14-5-3-13(4-6-14)18(19,20)21/h7-11,13-14H,2-6H2,1H3.
What are the key properties of 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one?
1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one has a molecular weight of 339.36 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(trifluoromethyl)cyclohexyl]oxyindol-1-yl]propan-1-one is sourced from PubChem (CID 162560069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).