(1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid

C10H18F3NO2 — CID 68508267

IUPAC(1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid
SMILESC[C@H](N)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-7(9)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h7-8H,2-6,9H2,1H3;(H,6,7)/t7-;/m0./s1
InChIKeyLEPPTTXABDYABC-FJXQXJEOSA-N
MW241.25 g/mol
LogP2.55
Rot. Bonds1

About (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid

(1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 68508267) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid
PubChem CID68508267
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name(1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid
SMILESC[C@H](N)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-7(9)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h7-8H,2-6,9H2,1H3;(H,6,7)/t7-;/m0./s1
InChIKeyLEPPTTXABDYABC-FJXQXJEOSA-N
XLogP2.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic 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 (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid (CID 68508267) is (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid is C[C@H](N)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is LEPPTTXABDYABC-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17N.C2HF3O2/c1-7(9)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h7-8H,2-6,9H2,1H3;(H,6,7)/t7-;/m0./s1.
What are the key properties of (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid?
(1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 241.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68508267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).