2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol

C14H12F3NO2 — CID 117220491

IUPAC2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
SMILESNc1ccc(COc2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-2-4-11(5-3-10)20-8-9-1-6-12(18)13(19)7-9/h1-7,19H,8,18H2
InChIKeyNFODHVAXVMWCGB-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.57
Rot. Bonds3

About 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol

2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol (PubChem CID 117220491) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
PubChem CID117220491
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
SMILESNc1ccc(COc2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-2-4-11(5-3-10)20-8-9-1-6-12(18)13(19)7-9/h1-7,19H,8,18H2
InChIKeyNFODHVAXVMWCGB-UHFFFAOYSA-N
XLogP3.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
3-[[4-amino-3-(trifluoromethyl)phenyl]methoxy]phenol
CID 117220304
2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
2-amino-4-[(4-bromophenoxy)methyl]phenol
CID 117221968
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol?
The IUPAC name of 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol (CID 117220491) is 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol.
What is the SMILES notation for 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol?
The canonical SMILES for 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol is Nc1ccc(COc2ccc(C(F)(F)F)cc2)cc1O.
What is the InChIKey of 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol?
The InChIKey is NFODHVAXVMWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)10-2-4-11(5-3-10)20-8-9-1-6-12(18)13(19)7-9/h1-7,19H,8,18H2.
What are the key properties of 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol?
2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol has a molecular weight of 283.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol is sourced from PubChem (CID 117220491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).