2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid

C15H18F3NO2 — CID 21090443

IUPAC2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid
SMILESO=C(O)CNC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)12-5-1-10(2-6-12)11-3-7-13(8-4-11)19-9-14(20)21/h1-2,5-6,11,13,19H,3-4,7-9H2,(H,20,21)
InChIKeyWZKIFJNMJDCIQX-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.41
Rot. Bonds4

About 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid

2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid (PubChem CID 21090443) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid
PubChem CID21090443
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid
SMILESO=C(O)CNC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)12-5-1-10(2-6-12)11-3-7-13(8-4-11)19-9-14(20)21/h1-2,5-6,11,13,19H,3-4,7-9H2,(H,20,21)
InChIKeyWZKIFJNMJDCIQX-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid (CID 21090443) is 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid is O=C(O)CNC1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid?
The InChIKey is WZKIFJNMJDCIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)12-5-1-10(2-6-12)11-3-7-13(8-4-11)19-9-14(20)21/h1-2,5-6,11,13,19H,3-4,7-9H2,(H,20,21).
What are the key properties of 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid?
2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid has a molecular weight of 301.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 21090443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).