[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol

C8H7F4NO2 — CID 118996091

IUPAC[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
SMILESNc1cc(F)c(OC(F)(F)F)cc1CO
InChIInChI=1S/C8H7F4NO2/c9-5-2-6(13)4(3-14)1-7(5)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyAIDLECABZMAUIF-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.80
Rot. Bonds2

About [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol

[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol (PubChem CID 118996091) has the molecular formula C8H7F4NO2 and a molecular weight of 225.14 g/mol. Its IUPAC name is [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
PubChem CID118996091
Molecular FormulaC8H7F4NO2
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
SMILESNc1cc(F)c(OC(F)(F)F)cc1CO
InChIInChI=1S/C8H7F4NO2/c9-5-2-6(13)4(3-14)1-7(5)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyAIDLECABZMAUIF-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-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 134662814
[3-amino-5-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261840
[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol
CID 131260889
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
2-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130926046
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol
CID 131260902
[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134680686
[3-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118854447
1-[2,4-difluoro-5-(trifluoromethoxy)phenyl]ethanone
CID 171006054

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol (CID 118996091) is [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol is Nc1cc(F)c(OC(F)(F)F)cc1CO.
What is the InChIKey of [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol?
The InChIKey is AIDLECABZMAUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2/c9-5-2-6(13)4(3-14)1-7(5)15-8(10,11)12/h1-2,14H,3,13H2.
What are the key properties of [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol?
[2-amino-4-fluoro-5-(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 [2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 118996091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).