N-methoxy-1-(2,4,6-trifluorophenyl)methanamine

C8H8F3NO — CID 147218980

IUPACN-methoxy-1-(2,4,6-trifluorophenyl)methanamine
SMILESCONCc1c(F)cc(F)cc1F
InChIInChI=1S/C8H8F3NO/c1-13-12-4-6-7(10)2-5(9)3-8(6)11/h2-3,12H,4H2,1H3
InChIKeyCGRNKQOGAADCAF-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.75
Rot. Bonds3

About N-methoxy-1-(2,4,6-trifluorophenyl)methanamine

N-methoxy-1-(2,4,6-trifluorophenyl)methanamine (PubChem CID 147218980) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is N-methoxy-1-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2,4,6-trifluorophenyl)methanamine
PubChem CID147218980
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC NameN-methoxy-1-(2,4,6-trifluorophenyl)methanamine
SMILESCONCc1c(F)cc(F)cc1F
InChIInChI=1S/C8H8F3NO/c1-13-12-4-6-7(10)2-5(9)3-8(6)11/h2-3,12H,4H2,1H3
InChIKeyCGRNKQOGAADCAF-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.75
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-1-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of N-methoxy-1-(2,4,6-trifluorophenyl)methanamine (CID 147218980) is N-methoxy-1-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for N-methoxy-1-(2,4,6-trifluorophenyl)methanamine is CONCc1c(F)cc(F)cc1F.
What is the InChIKey of N-methoxy-1-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is CGRNKQOGAADCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-13-12-4-6-7(10)2-5(9)3-8(6)11/h2-3,12H,4H2,1H3.
What are the key properties of N-methoxy-1-(2,4,6-trifluorophenyl)methanamine?
N-methoxy-1-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 191.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 147218980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).