N-methoxy-3-(trifluoromethyl)aniline

C8H8F3NO — CID 18667752

IUPACN-methoxy-3-(trifluoromethyl)aniline
SMILESCONc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-13-12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3
InChIKeyTZJWSDCGDCRJLR-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.68
Rot. Bonds2

About N-methoxy-3-(trifluoromethyl)aniline

N-methoxy-3-(trifluoromethyl)aniline (PubChem CID 18667752) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is N-methoxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methoxy-3-(trifluoromethyl)aniline
PubChem CID18667752
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC NameN-methoxy-3-(trifluoromethyl)aniline
SMILESCONc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-13-12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3
InChIKeyTZJWSDCGDCRJLR-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(trifluoromethyl)aniline?
The IUPAC name of N-methoxy-3-(trifluoromethyl)aniline (CID 18667752) is N-methoxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-methoxy-3-(trifluoromethyl)aniline?
The canonical SMILES for N-methoxy-3-(trifluoromethyl)aniline is CONc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methoxy-3-(trifluoromethyl)aniline?
The InChIKey is TZJWSDCGDCRJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-13-12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3.
What are the key properties of N-methoxy-3-(trifluoromethyl)aniline?
N-methoxy-3-(trifluoromethyl)aniline has a molecular weight of 191.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(trifluoromethyl)aniline is sourced from PubChem (CID 18667752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).