3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid

C19H24F3NO3 — CID 3719380

IUPAC3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)(C)CC(CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)O)C1
InChIInChI=1S/C19H24F3NO3/c1-12-8-17(2,3)11-18(9-12,16(25)26)10-15(24)23-14-6-4-5-13(7-14)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyQQLVXYUIIGTHTC-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.95
Rot. Bonds4

About 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid

3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid (PubChem CID 3719380) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid
PubChem CID3719380
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)(C)CC(CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)O)C1
InChIInChI=1S/C19H24F3NO3/c1-12-8-17(2,3)11-18(9-12,16(25)26)10-15(24)23-14-6-4-5-13(7-14)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyQQLVXYUIIGTHTC-UHFFFAOYSA-N
XLogP4.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2856339
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CID 2883992
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CID 58288245
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CID 4521468
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CID 25741246
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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid (CID 3719380) is 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid is CC1CC(C)(C)CC(CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)O)C1.
What is the InChIKey of 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is QQLVXYUIIGTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-12-8-17(2,3)11-18(9-12,16(25)26)10-15(24)23-14-6-4-5-13(7-14)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid?
3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 371.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3719380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).