trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol

C9H16F3NO2 — CID 102733487

IUPACtrans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-5-4-13-7-2-1-3-8(7)14/h7-8,13-14H,1-6H2/t7-,8-/m0/s1
InChIKeyILZSDZQFJIJRRR-YUMQZZPRSA-N
MW227.23 g/mol
LogP1.07
Rot. Bonds5

About trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol (PubChem CID 102733487) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
PubChem CID102733487
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Nametrans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-5-4-13-7-2-1-3-8(7)14/h7-8,13-14H,1-6H2/t7-,8-/m0/s1
InChIKeyILZSDZQFJIJRRR-YUMQZZPRSA-N
XLogP1.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol
CID 102733127
trans-(1R,2R)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol
CID 102733446
2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 106365355
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile
CID 63828405
2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol
CID 82722134
trans-(1R,2R)-2-(2-cyclopentyloxyethylamino)cyclopentan-1-ol
CID 102733484
trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
CID 102731750
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(3-ethoxypropylamino)cyclopentan-1-ol
CID 102733020
trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
CID 102731534
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol (CID 102733487) is trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NCCOCC(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol?
The InChIKey is ILZSDZQFJIJRRR-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)6-15-5-4-13-7-2-1-3-8(7)14/h7-8,13-14H,1-6H2/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol has a molecular weight of 227.23 g/mol, XLogP of 1.07, 5 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-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 102733487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).