trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol

C12H13ClF3NO — CID 102733047

IUPACtrans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H13ClF3NO/c13-8-4-1-3-7(12(14,15)16)11(8)17-9-5-2-6-10(9)18/h1,3-4,9-10,17-18H,2,5-6H2/t9-,10-/m0/s1
InChIKeyFRSIHQNKESDGLU-UWVGGRQHSA-N
MW279.69 g/mol
LogP3.68
Rot. Bonds2

About trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol

trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol (PubChem CID 102733047) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol
PubChem CID102733047
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Nametrans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H13ClF3NO/c13-8-4-1-3-7(12(14,15)16)11(8)17-9-5-2-6-10(9)18/h1,3-4,9-10,17-18H,2,5-6H2/t9-,10-/m0/s1
InChIKeyFRSIHQNKESDGLU-UWVGGRQHSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol (CID 102733047) is trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol?
The InChIKey is FRSIHQNKESDGLU-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c13-8-4-1-3-7(12(14,15)16)11(8)17-9-5-2-6-10(9)18/h1,3-4,9-10,17-18H,2,5-6H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol has a molecular weight of 279.69 g/mol, XLogP of 3.68, 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-6-(trifluoromethyl)anilino]cyclopentan-1-ol is sourced from PubChem (CID 102733047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).