[4-amino-2-(trifluoromethoxy)phenyl]methanol

C8H8F3NO2 — CID 118822833

IUPAC[4-amino-2-(trifluoromethoxy)phenyl]methanol
SMILESNc1ccc(CO)c(OC(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-7-3-6(12)2-1-5(7)4-13/h1-3,13H,4,12H2
InChIKeyHHWKUNDGTJOHOL-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.66
Rot. Bonds2

About [4-amino-2-(trifluoromethoxy)phenyl]methanol

[4-amino-2-(trifluoromethoxy)phenyl]methanol (PubChem CID 118822833) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is [4-amino-2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-amino-2-(trifluoromethoxy)phenyl]methanol
PubChem CID118822833
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name[4-amino-2-(trifluoromethoxy)phenyl]methanol
SMILESNc1ccc(CO)c(OC(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-7-3-6(12)2-1-5(7)4-13/h1-3,13H,4,12H2
InChIKeyHHWKUNDGTJOHOL-UHFFFAOYSA-N
XLogP1.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol
CID 131260889
4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride
CID 176908298
[5-amino-2-(trifluoromethoxy)phenyl]methanesulfinic acid
CID 174436022
[4-nitro-2-(trifluoromethoxy)phenyl]methanol
CID 171028715
4-bromo-3-(trifluoromethoxy)aniline
CID 14129198
[3-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118854447
4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline
CID 146374167
[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
CID 118996091
4-prop-2-enoxy-3-(trifluoromethoxy)aniline
CID 68685743
[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol
CID 172650096
ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate
CID 134633504
[5-methyl-2-(trifluoromethoxy)phenyl]methanol
CID 67765469

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [4-amino-2-(trifluoromethoxy)phenyl]methanol (CID 118822833) is [4-amino-2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [4-amino-2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [4-amino-2-(trifluoromethoxy)phenyl]methanol is Nc1ccc(CO)c(OC(F)(F)F)c1.
What is the InChIKey of [4-amino-2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is HHWKUNDGTJOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)14-7-3-6(12)2-1-5(7)4-13/h1-3,13H,4,12H2.
What are the key properties of [4-amino-2-(trifluoromethoxy)phenyl]methanol?
[4-amino-2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 207.15 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 118822833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).