3-fluoro-5-methyl-4-(trifluoromethoxy)aniline

C8H7F4NO — CID 130883665

IUPAC3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
SMILESCc1cc(N)cc(F)c1OC(F)(F)F
InChIInChI=1S/C8H7F4NO/c1-4-2-5(13)3-6(9)7(4)14-8(10,11)12/h2-3H,13H2,1H3
InChIKeyCSEIJGIPOIAQIP-UHFFFAOYSA-N
MW209.14 g/mol
LogP2.61
Rot. Bonds1

About 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline

3-fluoro-5-methyl-4-(trifluoromethoxy)aniline (PubChem CID 130883665) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
PubChem CID130883665
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
SMILESCc1cc(N)cc(F)c1OC(F)(F)F
InChIInChI=1S/C8H7F4NO/c1-4-2-5(13)3-6(9)7(4)14-8(10,11)12/h2-3H,13H2,1H3
InChIKeyCSEIJGIPOIAQIP-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloropyrimidin-2-yl)oxy-3-fluoro-5-methylaniline
CID 168937901
2-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130926046
3-bromo-5-fluoro-2-methoxy-4-(trifluoromethoxy)aniline
CID 98041889
5-amino-3-bromo-2-(trifluoromethoxy)benzaldehyde
CID 131287437
3-fluoro-4-iodo-5-methylaniline
CID 131425548
1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene
CID 59592266
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585
ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
CID 171065916
4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline
CID 54902859
1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
CID 118841593
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine
CID 176951368

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline?
The IUPAC name of 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline (CID 130883665) is 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline is Cc1cc(N)cc(F)c1OC(F)(F)F.
What is the InChIKey of 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline?
The InChIKey is CSEIJGIPOIAQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c1-4-2-5(13)3-6(9)7(4)14-8(10,11)12/h2-3H,13H2,1H3.
What are the key properties of 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline?
3-fluoro-5-methyl-4-(trifluoromethoxy)aniline has a molecular weight of 209.14 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 130883665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).