trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol

C9H16F3NO2 — CID 107483881

IUPACtrans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
SMILESOCCN(CC(F)(F)F)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-13(4-5-14)7-2-1-3-8(7)15/h7-8,14-15H,1-6H2/t7-,8-/m0/s1
InChIKeyKJHLGLMFANUFFM-YUMQZZPRSA-N
MW227.23 g/mol
LogP0.76
Rot. Bonds4

About trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol (PubChem CID 107483881) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
PubChem CID107483881
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Nametrans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
SMILESOCCN(CC(F)(F)F)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-13(4-5-14)7-2-1-3-8(7)15/h7-8,14-15H,1-6H2/t7-,8-/m0/s1
InChIKeyKJHLGLMFANUFFM-YUMQZZPRSA-N
XLogP0.76
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol (CID 107483881) is trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol is OCCN(CC(F)(F)F)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol?
The InChIKey is KJHLGLMFANUFFM-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)6-13(4-5-14)7-2-1-3-8(7)15/h7-8,14-15H,1-6H2/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol has a molecular weight of 227.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 107483881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).