trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol

C11H12ClF2NO — CID 102733945

IUPACtrans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H12ClF2NO/c12-7-4-6(13)5-8(14)11(7)15-9-2-1-3-10(9)16/h4-5,9-10,15-16H,1-3H2/t9-,10-/m0/s1
InChIKeyNRJUUCDFTBJXBX-UWVGGRQHSA-N
MW247.67 g/mol
LogP2.94
Rot. Bonds2

About trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol (PubChem CID 102733945) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol
PubChem CID102733945
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Nametrans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H12ClF2NO/c12-7-4-6(13)5-8(14)11(7)15-9-2-1-3-10(9)16/h4-5,9-10,15-16H,1-3H2/t9-,10-/m0/s1
InChIKeyNRJUUCDFTBJXBX-UWVGGRQHSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(2-chloro-4,6-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

2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83081176
N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 83081941
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
CID 93345900
2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline
CID 83082038
trans-(1R,2R)-2-(4-bromo-2,6-difluoroanilino)cyclohexan-1-ol
CID 102731340
2-(2,3,5-trifluoroanilino)cyclohexan-1-ol
CID 55118688
2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83078747
N-(2-chloro-4,6-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 83081402
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol
CID 94872516
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol (CID 102733945) is trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol?
The InChIKey is NRJUUCDFTBJXBX-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c12-7-4-6(13)5-8(14)11(7)15-9-2-1-3-10(9)16/h4-5,9-10,15-16H,1-3H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol has a molecular weight of 247.67 g/mol, XLogP of 2.94, 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-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol is sourced from PubChem (CID 102733945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).