2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine

C8H9F3N2O — CID 162535431

IUPAC2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine
SMILESCOc1cc(N)c(C(F)(F)F)cc1N
InChIInChI=1S/C8H9F3N2O/c1-14-7-3-5(12)4(2-6(7)13)8(9,10)11/h2-3H,12-13H2,1H3
InChIKeyVLDCDIMUDMRBMP-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.88
Rot. Bonds1

About 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine

2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 162535431) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine
PubChem CID162535431
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine
SMILESCOc1cc(N)c(C(F)(F)F)cc1N
InChIInChI=1S/C8H9F3N2O/c1-14-7-3-5(12)4(2-6(7)13)8(9,10)11/h2-3H,12-13H2,1H3
InChIKeyVLDCDIMUDMRBMP-UHFFFAOYSA-N
XLogP1.88
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-5-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine (CID 162535431) is 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine is COc1cc(N)c(C(F)(F)F)cc1N.
What is the InChIKey of 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is VLDCDIMUDMRBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-14-7-3-5(12)4(2-6(7)13)8(9,10)11/h2-3H,12-13H2,1H3.
What are the key properties of 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine?
2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 206.17 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 162535431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).