2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol

C12H13BrF3NO — CID 65491811

IUPAC2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESOC1CCCC1Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13BrF3NO/c13-8-4-7(12(14,15)16)5-9(6-8)17-10-2-1-3-11(10)18/h4-6,10-11,17-18H,1-3H2
InChIKeySJOPUZVEGKRCDN-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.79
Rot. Bonds2

About 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol

2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol (PubChem CID 65491811) has the molecular formula C12H13BrF3NO and a molecular weight of 324.14 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
PubChem CID65491811
Molecular FormulaC12H13BrF3NO
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC Name2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESOC1CCCC1Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13BrF3NO/c13-8-4-7(12(14,15)16)5-9(6-8)17-10-2-1-3-11(10)18/h4-6,10-11,17-18H,1-3H2
InChIKeySJOPUZVEGKRCDN-UHFFFAOYSA-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 2-[3-bromo-5-(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

3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline
CID 65491603
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964
3-bromo-N-cyclohex-2-en-1-yl-5-(trifluoromethyl)aniline
CID 107907161
trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733137
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
CID 99857915
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
CID 93345900
3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662577
2-[2-bromo-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 115511652
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 60885883
3-bromo-N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 79835004
trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol
CID 102733064

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol?
The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol (CID 65491811) is 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol?
The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol is OC1CCCC1Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol?
The InChIKey is SJOPUZVEGKRCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO/c13-8-4-7(12(14,15)16)5-9(6-8)17-10-2-1-3-11(10)18/h4-6,10-11,17-18H,1-3H2.
What are the key properties of 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol?
2-[3-bromo-5-(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 2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol is sourced from PubChem (CID 65491811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).