trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol

C11H12BrF2NO — CID 102853369

IUPACtrans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H12BrF2NO/c12-6-4-10(8(14)5-7(6)13)15-9-2-1-3-11(9)16/h4-5,9,11,15-16H,1-3H2/t9-,11-/m0/s1
InChIKeyJPCNWJXJYCPPTD-ONGXEEELSA-N
MW292.12 g/mol
LogP3.05
Rot. Bonds2

About trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol (PubChem CID 102853369) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
PubChem CID102853369
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Nametrans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H12BrF2NO/c12-6-4-10(8(14)5-7(6)13)15-9-2-1-3-11(9)16/h4-5,9,11,15-16H,1-3H2/t9-,11-/m0/s1
InChIKeyJPCNWJXJYCPPTD-ONGXEEELSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)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

trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102853225
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
CID 102733775
N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 102852658
2-(2,3,5-trifluoroanilino)cyclohexan-1-ol
CID 55118688
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1R,2R)-2-(4-bromo-2,6-difluoroanilino)cyclohexan-1-ol
CID 102731340
4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 116735934

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol (CID 102853369) is trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1cc(Br)c(F)cc1F.
What is the InChIKey of trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol?
The InChIKey is JPCNWJXJYCPPTD-ONGXEEELSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-6-4-10(8(14)5-7(6)13)15-9-2-1-3-11(9)16/h4-5,9,11,15-16H,1-3H2/t9-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol has a molecular weight of 292.12 g/mol, XLogP of 3.05, 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-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol is sourced from PubChem (CID 102853369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).