[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol

C9H10F3NO3 — CID 126674741

IUPAC[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol
SMILESCOc1c(N)cc(OC(F)(F)F)cc1CO
InChIInChI=1S/C9H10F3NO3/c1-15-8-5(4-14)2-6(3-7(8)13)16-9(10,11)12/h2-3,14H,4,13H2,1H3
InChIKeyFLTYGDCIXZVWFC-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.67
Rot. Bonds3

About [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol

[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol (PubChem CID 126674741) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol
PubChem CID126674741
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol
SMILESCOc1c(N)cc(OC(F)(F)F)cc1CO
InChIInChI=1S/C9H10F3NO3/c1-15-8-5(4-14)2-6(3-7(8)13)16-9(10,11)12/h2-3,14H,4,13H2,1H3
InChIKeyFLTYGDCIXZVWFC-UHFFFAOYSA-N
XLogP1.67
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol 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-2-chloro-5-(trifluoromethoxy)phenyl]methanol
CID 131260902
[3-amino-5-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261840
2,2,2-trichloroethyl N-[3-(hydroxymethyl)-2-methoxy-5-(trifluoromethoxy)phenyl]carbamate
CID 126674575
[3-(trifluoromethoxy)naphthalen-1-yl]methanol
CID 118803751
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681962
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
3-(4-methoxyphenyl)-5-(trifluoromethoxy)benzene-1,2-diamine
CID 89404596
[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol (CID 126674741) is [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol is COc1c(N)cc(OC(F)(F)F)cc1CO.
What is the InChIKey of [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol?
The InChIKey is FLTYGDCIXZVWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-15-8-5(4-14)2-6(3-7(8)13)16-9(10,11)12/h2-3,14H,4,13H2,1H3.
What are the key properties of [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol?
[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol has a molecular weight of 237.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 126674741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).