2-methoxy-4,6-bis(trifluoromethyl)aniline

C9H7F6NO — CID 57363099

IUPAC2-methoxy-4,6-bis(trifluoromethyl)aniline
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1N
InChIInChI=1S/C9H7F6NO/c1-17-6-3-4(8(10,11)12)2-5(7(6)16)9(13,14)15/h2-3H,16H2,1H3
InChIKeyZLTYWLXYXRBBJP-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.32
Rot. Bonds1

About 2-methoxy-4,6-bis(trifluoromethyl)aniline

2-methoxy-4,6-bis(trifluoromethyl)aniline (PubChem CID 57363099) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-methoxy-4,6-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methoxy-4,6-bis(trifluoromethyl)aniline
PubChem CID57363099
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name2-methoxy-4,6-bis(trifluoromethyl)aniline
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1N
InChIInChI=1S/C9H7F6NO/c1-17-6-3-4(8(10,11)12)2-5(7(6)16)9(13,14)15/h2-3H,16H2,1H3
InChIKeyZLTYWLXYXRBBJP-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-bis(trifluoromethyl)aniline?
The IUPAC name of 2-methoxy-4,6-bis(trifluoromethyl)aniline (CID 57363099) is 2-methoxy-4,6-bis(trifluoromethyl)aniline.
What is the SMILES notation for 2-methoxy-4,6-bis(trifluoromethyl)aniline?
The canonical SMILES for 2-methoxy-4,6-bis(trifluoromethyl)aniline is COc1cc(C(F)(F)F)cc(C(F)(F)F)c1N.
What is the InChIKey of 2-methoxy-4,6-bis(trifluoromethyl)aniline?
The InChIKey is ZLTYWLXYXRBBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c1-17-6-3-4(8(10,11)12)2-5(7(6)16)9(13,14)15/h2-3H,16H2,1H3.
What are the key properties of 2-methoxy-4,6-bis(trifluoromethyl)aniline?
2-methoxy-4,6-bis(trifluoromethyl)aniline has a molecular weight of 259.15 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-bis(trifluoromethyl)aniline is sourced from PubChem (CID 57363099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).