2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol

C13H16F3NO2 — CID 130387878

IUPAC2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol
SMILESOCCNC1CC[C@@H]1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)9-3-1-2-4-11(9)19-12-6-5-10(12)17-7-8-18/h1-4,10,12,17-18H,5-8H2/t10?,12-/m0/s1
InChIKeyYXJYEWAPCFYQNL-KFJBMODSSA-N
MW275.27 g/mol
LogP2.20
Rot. Bonds5

About 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol

2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol (PubChem CID 130387878) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol
PubChem CID130387878
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol
SMILESOCCNC1CC[C@@H]1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)9-3-1-2-4-11(9)19-12-6-5-10(12)17-7-8-18/h1-4,10,12,17-18H,5-8H2/t10?,12-/m0/s1
InChIKeyYXJYEWAPCFYQNL-KFJBMODSSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 45283482
2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 107942467
[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43293835
2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64804090
ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 144591582
methyl (2R,4R)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 98006342
methyl (2S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 45075597
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 66368731
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
methyl 4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate;hydrochloride
CID 53410543
(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 68978029

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol?
The IUPAC name of 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol (CID 130387878) is 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol.
What is the SMILES notation for 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol?
The canonical SMILES for 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol is OCCNC1CC[C@@H]1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol?
The InChIKey is YXJYEWAPCFYQNL-KFJBMODSSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)9-3-1-2-4-11(9)19-12-6-5-10(12)17-7-8-18/h1-4,10,12,17-18H,5-8H2/t10?,12-/m0/s1.
What are the key properties of 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol?
2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[2-(trifluoromethyl)phenoxy]cyclobutyl]amino]ethanol is sourced from PubChem (CID 130387878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).