2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C10H16F3NO2 — CID 79792009

IUPAC2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC1CCCCC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(8(15)16,10(11,12)13)14-7-5-3-2-4-6-7/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyYSHNCNKXOVCIDY-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.31
Rot. Bonds3

About 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792009) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792009
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC1CCCCC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(8(15)16,10(11,12)13)14-7-5-3-2-4-6-7/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyYSHNCNKXOVCIDY-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792009) is 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC1CCCCC1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is YSHNCNKXOVCIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(8(15)16,10(11,12)13)14-7-5-3-2-4-6-7/h7,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).