2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol

C9H10F3NO2 — CID 43209057

IUPAC2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESNCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13/h1-4,8,14H,5,13H2
InChIKeyWRLVESWELOBVJS-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.58
Rot. Bonds3

About 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol

2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 43209057) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID43209057
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESNCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13/h1-4,8,14H,5,13H2
InChIKeyWRLVESWELOBVJS-UHFFFAOYSA-N
XLogP1.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol
CID 163243558
4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 65148112

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol (CID 43209057) is 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol is NCC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is WRLVESWELOBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13/h1-4,8,14H,5,13H2.
What are the key properties of 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol?
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 221.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 43209057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).