N,N,2-trifluoro-4-methoxyaniline

C7H6F3NO — CID 87910530

IUPACN,N,2-trifluoro-4-methoxyaniline
SMILESCOc1ccc(N(F)F)c(F)c1
InChIInChI=1S/C7H6F3NO/c1-12-5-2-3-7(11(9)10)6(8)4-5/h2-4H,1H3
InChIKeyUOYJWTBTSAITCM-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.41
Rot. Bonds2

About N,N,2-trifluoro-4-methoxyaniline

N,N,2-trifluoro-4-methoxyaniline (PubChem CID 87910530) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is N,N,2-trifluoro-4-methoxyaniline.

Molecular Properties

Compound NameN,N,2-trifluoro-4-methoxyaniline
PubChem CID87910530
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC NameN,N,2-trifluoro-4-methoxyaniline
SMILESCOc1ccc(N(F)F)c(F)c1
InChIInChI=1S/C7H6F3NO/c1-12-5-2-3-7(11(9)10)6(8)4-5/h2-4H,1H3
InChIKeyUOYJWTBTSAITCM-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-methoxyphenyl)-N-methylhydroxylamine
CID 123875503
2-fluoro-4-methoxyaniline
CID 3756383
2-bromo-N,N-bis(2-bromo-4-methoxyphenyl)-4-methoxyaniline
CID 13050087
N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine
CID 110454587
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
CID 126581039
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
CID 59418410
CID 59418410
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
(2-fluoro-4-methoxyphenyl)hydrazine;hydrobromide
CID 138620143

Frequently Asked Questions

What is the IUPAC name of N,N,2-trifluoro-4-methoxyaniline?
The IUPAC name of N,N,2-trifluoro-4-methoxyaniline (CID 87910530) is N,N,2-trifluoro-4-methoxyaniline.
What is the SMILES notation for N,N,2-trifluoro-4-methoxyaniline?
The canonical SMILES for N,N,2-trifluoro-4-methoxyaniline is COc1ccc(N(F)F)c(F)c1.
What is the InChIKey of N,N,2-trifluoro-4-methoxyaniline?
The InChIKey is UOYJWTBTSAITCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-12-5-2-3-7(11(9)10)6(8)4-5/h2-4H,1H3.
What are the key properties of N,N,2-trifluoro-4-methoxyaniline?
N,N,2-trifluoro-4-methoxyaniline has a molecular weight of 177.12 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trifluoro-4-methoxyaniline is sourced from PubChem (CID 87910530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).