2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline

C14H11F4NO — CID 172676635

IUPAC2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline
SMILESCc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2N)c1
InChIInChI=1S/C14H11F4NO/c1-8-2-5-12(15)11(6-8)10-4-3-9(7-13(10)19)20-14(16,17)18/h2-7H,19H2,1H3
InChIKeyOCIBHRKEXHAMFL-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.28
Rot. Bonds2

About 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline

2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline (PubChem CID 172676635) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline
PubChem CID172676635
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline
SMILESCc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2N)c1
InChIInChI=1S/C14H11F4NO/c1-8-2-5-12(15)11(6-8)10-4-3-9(7-13(10)19)20-14(16,17)18/h2-7H,19H2,1H3
InChIKeyOCIBHRKEXHAMFL-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 54.28
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

2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
2-(2-fluoro-4-methylphenyl)-4-(trifluoromethoxy)aniline
CID 172676517
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
2-(2-fluoro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674944
2-(3-chloro-2-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 172676629
5-methyl-2-(2,4,5-trifluorophenyl)aniline
CID 82766150
2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline
CID 172676520
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-(3,4-difluorophenyl)-4-(trifluoromethoxy)aniline
CID 172676543
2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674950
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline (CID 172676635) is 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline is Cc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2N)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline?
The InChIKey is OCIBHRKEXHAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c1-8-2-5-12(15)11(6-8)10-4-3-9(7-13(10)19)20-14(16,17)18/h2-7H,19H2,1H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline?
2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline has a molecular weight of 285.24 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 172676635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).