3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline

C13H8F5NO — CID 89422799

IUPAC3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
SMILESNc1cc(F)c(-c2ccccc2OC(F)(F)F)c(F)c1
InChIInChI=1S/C13H8F5NO/c14-9-5-7(19)6-10(15)12(9)8-3-1-2-4-11(8)20-13(16,17)18/h1-6H,19H2
InChIKeyHIUNNQRPIKIHEN-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.11
Rot. Bonds2

About 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline

3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline (PubChem CID 89422799) has the molecular formula C13H8F5NO and a molecular weight of 289.20 g/mol. Its IUPAC name is 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
PubChem CID89422799
Molecular FormulaC13H8F5NO
Molecular Weight289.20 g/mol
Exact Mass289.05
IUPAC Name3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
SMILESNc1cc(F)c(-c2ccccc2OC(F)(F)F)c(F)c1
InChIInChI=1S/C13H8F5NO/c14-9-5-7(19)6-10(15)12(9)8-3-1-2-4-11(8)20-13(16,17)18/h1-6H,19H2
InChIKeyHIUNNQRPIKIHEN-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.11
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

1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 175087809
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631493

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline (CID 89422799) is 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline is Nc1cc(F)c(-c2ccccc2OC(F)(F)F)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline?
The InChIKey is HIUNNQRPIKIHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO/c14-9-5-7(19)6-10(15)12(9)8-3-1-2-4-11(8)20-13(16,17)18/h1-6H,19H2.
What are the key properties of 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline?
3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline has a molecular weight of 289.20 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 89422799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).