2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid

C15H18F3NO2 — CID 62315278

IUPAC2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
SMILESO=C(O)C(Nc1ccccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-8-4-5-9-12(11)19-13(14(20)21)10-6-2-1-3-7-10/h4-5,8-10,13,19H,1-3,6-7H2,(H,20,21)
InChIKeySASXASKPLGEZFJ-UHFFFAOYSA-N
MW301.31 g/mol
LogP4.15
Rot. Bonds4

About 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid

2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid (PubChem CID 62315278) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
PubChem CID62315278
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
SMILESO=C(O)C(Nc1ccccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-8-4-5-9-12(11)19-13(14(20)21)10-6-2-1-3-7-10/h4-5,8-10,13,19H,1-3,6-7H2,(H,20,21)
InChIKeySASXASKPLGEZFJ-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
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2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
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1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
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2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid
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N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
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N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
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2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
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2-cyclohexyl-2-(2-methyl-3-nitroanilino)acetic acid
CID 63077083

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid (CID 62315278) is 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid is O=C(O)C(Nc1ccccc1C(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid?
The InChIKey is SASXASKPLGEZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)11-8-4-5-9-12(11)19-13(14(20)21)10-6-2-1-3-7-10/h4-5,8-10,13,19H,1-3,6-7H2,(H,20,21).
What are the key properties of 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid?
2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid has a molecular weight of 301.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 62315278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).