trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol

C11H12F3NO — CID 94872516

IUPACtrans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H12F3NO/c12-7-4-6(5-8(13)11(7)14)15-9-2-1-3-10(9)16/h4-5,9-10,15-16H,1-3H2/t9-,10-/m1/s1
InChIKeyCAPDLMKPRMTGKM-NXEZZACHSA-N
MW231.22 g/mol
LogP2.43
Rot. Bonds2

About trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol (PubChem CID 94872516) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol
PubChem CID94872516
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Nametrans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H12F3NO/c12-7-4-6(5-8(13)11(7)14)15-9-2-1-3-10(9)16/h4-5,9-10,15-16H,1-3H2/t9-,10-/m1/s1
InChIKeyCAPDLMKPRMTGKM-NXEZZACHSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-2-(3,4,5-trifluoroanilino)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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol (CID 94872516) is trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol?
The InChIKey is CAPDLMKPRMTGKM-NXEZZACHSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-7-4-6(5-8(13)11(7)14)15-9-2-1-3-10(9)16/h4-5,9-10,15-16H,1-3H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol has a molecular weight of 231.22 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol is sourced from PubChem (CID 94872516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).