2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid

C15H18F3NO2 — CID 64702163

IUPAC2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2ccccc2C(F)(F)F)CCCCC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-6-2-3-7-12(11)19-14(10-13(20)21)8-4-1-5-9-14/h2-3,6-7,19H,1,4-5,8-10H2,(H,20,21)
InChIKeyFVSFXHNVLQSPGL-UHFFFAOYSA-N
MW301.31 g/mol
LogP4.29
Rot. Bonds4

About 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid

2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid (PubChem CID 64702163) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid
PubChem CID64702163
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2ccccc2C(F)(F)F)CCCCC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-6-2-3-7-12(11)19-14(10-13(20)21)8-4-1-5-9-14/h2-3,6-7,19H,1,4-5,8-10H2,(H,20,21)
InChIKeyFVSFXHNVLQSPGL-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid (CID 64702163) is 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid is O=C(O)CC1(Nc2ccccc2C(F)(F)F)CCCCC1.
What is the InChIKey of 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid?
The InChIKey is FVSFXHNVLQSPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)11-6-2-3-7-12(11)19-14(10-13(20)21)8-4-1-5-9-14/h2-3,6-7,19H,1,4-5,8-10H2,(H,20,21).
What are the key properties of 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid?
2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid has a molecular weight of 301.31 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid is sourced from PubChem (CID 64702163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).