trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol

C12H13BrF3NO — CID 102733137

IUPACtrans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H13BrF3NO/c13-7-4-5-9(8(6-7)12(14,15)16)17-10-2-1-3-11(10)18/h4-6,10-11,17-18H,1-3H2/t10-,11-/m0/s1
InChIKeyYZOTVGYBCHBUDB-QWRGUYRKSA-N
MW324.14 g/mol
LogP3.79
Rot. Bonds2

About trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol

trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol (PubChem CID 102733137) has the molecular formula C12H13BrF3NO and a molecular weight of 324.14 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
PubChem CID102733137
Molecular FormulaC12H13BrF3NO
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC Nametrans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H13BrF3NO/c13-7-4-5-9(8(6-7)12(14,15)16)17-10-2-1-3-11(10)18/h4-6,10-11,17-18H,1-3H2/t10-,11-/m0/s1
InChIKeyYZOTVGYBCHBUDB-QWRGUYRKSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 60885883
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 65484778
2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 62359958
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087
2-[2-bromo-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 115511652
2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 65491811
4-bromo-N-(2-phenylcyclopropyl)-2-(trifluoromethyl)aniline
CID 65484003
3-[4-bromo-2-(trifluoromethyl)anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633741
trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733436

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol (CID 102733137) is trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol?
The InChIKey is YZOTVGYBCHBUDB-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H13BrF3NO/c13-7-4-5-9(8(6-7)12(14,15)16)17-10-2-1-3-11(10)18/h4-6,10-11,17-18H,1-3H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol?
trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol has a molecular weight of 324.14 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol is sourced from PubChem (CID 102733137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).