trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol

C11H12Br3NO — CID 102733064

IUPACtrans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H12Br3NO/c12-6-4-7(13)11(8(14)5-6)15-9-2-1-3-10(9)16/h4-5,9-10,15-16H,1-3H2/t9-,10-/m1/s1
InChIKeyWSLYUTXTSJSJJW-NXEZZACHSA-N
MW413.94 g/mol
LogP4.30
Rot. Bonds2

About trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol (PubChem CID 102733064) has the molecular formula C11H12Br3NO and a molecular weight of 413.94 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol
PubChem CID102733064
Molecular FormulaC11H12Br3NO
Molecular Weight413.94 g/mol
Exact Mass410.85
IUPAC Nametrans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H12Br3NO/c12-6-4-7(13)11(8(14)5-6)15-9-2-1-3-10(9)16/h4-5,9-10,15-16H,1-3H2/t9-,10-/m1/s1
InChIKeyWSLYUTXTSJSJJW-NXEZZACHSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.94
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol (CID 102733064) is trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol?
The InChIKey is WSLYUTXTSJSJJW-NXEZZACHSA-N. The full InChI is InChI=1S/C11H12Br3NO/c12-6-4-7(13)11(8(14)5-6)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-(2,4,6-tribromoanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol has a molecular weight of 413.94 g/mol, XLogP of 4.30, 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-(2,4,6-tribromoanilino)cyclopentan-1-ol is sourced from PubChem (CID 102733064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).