2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol

C10H12F3NO2 — CID 66510272

IUPAC2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol
SMILESCCOc1ccc(O)c([C@H](N)C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2/c1-2-16-6-3-4-8(15)7(5-6)9(14)10(11,12)13/h3-5,9,15H,2,14H2,1H3/t9-/m0/s1
InChIKeyKWFYUMUUIQTTII-VIFPVBQESA-N
MW235.20 g/mol
LogP2.35
Rot. Bonds3

About 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol

2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol (PubChem CID 66510272) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol
PubChem CID66510272
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol
SMILESCCOc1ccc(O)c([C@H](N)C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2/c1-2-16-6-3-4-8(15)7(5-6)9(14)10(11,12)13/h3-5,9,15H,2,14H2,1H3/t9-/m0/s1
InChIKeyKWFYUMUUIQTTII-VIFPVBQESA-N
XLogP2.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-4-ethoxyphenol
CID 19748523
2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol
CID 66510904
2-[(1S)-1-amino-2,2-dimethylpropyl]-4-(trifluoromethoxy)phenol
CID 171243087
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methoxyphenol
CID 66511004
ethyl (3R)-3-amino-2-fluoro-3-[2-hydroxy-5-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243090
2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171202696
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171222254
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-5-methoxyphenyl)propanoate;hydrochloride
CID 171240573
2-butan-2-yl-4-(4-ethoxyphenoxy)phenol
CID 21466417
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol?
The IUPAC name of 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol (CID 66510272) is 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol?
The canonical SMILES for 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol is CCOc1ccc(O)c([C@H](N)C(F)(F)F)c1.
What is the InChIKey of 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol?
The InChIKey is KWFYUMUUIQTTII-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-2-16-6-3-4-8(15)7(5-6)9(14)10(11,12)13/h3-5,9,15H,2,14H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol?
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol has a molecular weight of 235.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol is sourced from PubChem (CID 66510272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).