2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride

C9H11ClF3NO2 — CID 122199367

IUPAC2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.NCC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2.ClH/c10-9(11,12)15-7-3-1-2-6(4-7)8(14)5-13;/h1-4,8,14H,5,13H2;1H
InChIKeyZZKNFHYMXMNTDJ-UHFFFAOYSA-N
MW257.64 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride

2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride (PubChem CID 122199367) has the molecular formula C9H11ClF3NO2 and a molecular weight of 257.64 g/mol. Its IUPAC name is 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
PubChem CID122199367
Molecular FormulaC9H11ClF3NO2
Molecular Weight257.64 g/mol
Exact Mass257.04
IUPAC Name2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.NCC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2.ClH/c10-9(11,12)15-7-3-1-2-6(4-7)8(14)5-13;/h1-4,8,14H,5,13H2;1H
InChIKeyZZKNFHYMXMNTDJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
2-[fluoro-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 107443824
(1S,2R)-1-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171161785
3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
CID 107105020
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161781

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The IUPAC name of 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride (CID 122199367) is 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride is Cl.NCC(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The InChIKey is ZZKNFHYMXMNTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2.ClH/c10-9(11,12)15-7-3-1-2-6(4-7)8(14)5-13;/h1-4,8,14H,5,13H2;1H.
What are the key properties of 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride has a molecular weight of 257.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 122199367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).