[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol

C8H7F4NO2 — CID 131261843

IUPAC[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol
SMILESNc1ccc(F)c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H7F4NO2/c9-5-1-2-6(13)7(4(5)3-14)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyNERDFZLPCUQDID-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.80
Rot. Bonds2

About [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol

[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol (PubChem CID 131261843) has the molecular formula C8H7F4NO2 and a molecular weight of 225.14 g/mol. Its IUPAC name is [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol
PubChem CID131261843
Molecular FormulaC8H7F4NO2
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol
SMILESNc1ccc(F)c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H7F4NO2/c9-5-1-2-6(13)7(4(5)3-14)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyNERDFZLPCUQDID-UHFFFAOYSA-N
XLogP1.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.80
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

4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
CID 99770322
2-bromo-4-fluoro-3-(trifluoromethoxy)aniline
CID 119010333
[3-amino-5-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261840
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680899
4-amino-2-bromo-3-(trifluoromethoxy)benzoic acid
CID 118834468
3-phenyl-2-(trifluoromethoxy)aniline
CID 68852161
2,4-difluoro-3-(3,3,3-trifluoropropyl)aniline
CID 134441896
[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
CID 118996091
4-amino-2-chloro-3-(trifluoromethoxy)benzenethiol
CID 118850976
3-amino-4-fluoro-2-(trifluoromethoxy)benzamide
CID 131344959
[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134672505

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol (CID 131261843) is [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol is Nc1ccc(F)c(CO)c1OC(F)(F)F.
What is the InChIKey of [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is NERDFZLPCUQDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2/c9-5-1-2-6(13)7(4(5)3-14)15-8(10,11)12/h1-2,14H,3,13H2.
What are the key properties of [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol?
[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 225.14 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 131261843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).