(1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride

C6H11ClF3NO2 — CID 169260887

IUPAC(1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride
SMILESCl.N[C@H]1C[C@H](OC(F)(F)F)C[C@@H]1O
InChIInChI=1S/C6H10F3NO2.ClH/c7-6(8,9)12-3-1-4(10)5(11)2-3;/h3-5,11H,1-2,10H2;1H/t3-,4-,5-;/m0./s1
InChIKeyNCIICKVBDGBHEF-SHLRHQAISA-N
MW221.61 g/mol
LogP0.80
Rot. Bonds1

About (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride

(1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride (PubChem CID 169260887) has the molecular formula C6H11ClF3NO2 and a molecular weight of 221.61 g/mol. Its IUPAC name is (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride
PubChem CID169260887
Molecular FormulaC6H11ClF3NO2
Molecular Weight221.61 g/mol
Exact Mass221.04
IUPAC Name(1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride
SMILESCl.N[C@H]1C[C@H](OC(F)(F)F)C[C@@H]1O
InChIInChI=1S/C6H10F3NO2.ClH/c7-6(8,9)12-3-1-4(10)5(11)2-3;/h3-5,11H,1-2,10H2;1H/t3-,4-,5-;/m0./s1
InChIKeyNCIICKVBDGBHEF-SHLRHQAISA-N
XLogP0.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride 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,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride?
The IUPAC name of (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride (CID 169260887) is (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride?
The canonical SMILES for (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride is Cl.N[C@H]1C[C@H](OC(F)(F)F)C[C@@H]1O.
What is the InChIKey of (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride?
The InChIKey is NCIICKVBDGBHEF-SHLRHQAISA-N. The full InChI is InChI=1S/C6H10F3NO2.ClH/c7-6(8,9)12-3-1-4(10)5(11)2-3;/h3-5,11H,1-2,10H2;1H/t3-,4-,5-;/m0./s1.
What are the key properties of (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride?
(1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride has a molecular weight of 221.61 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 169260887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).