4-[2-(trifluoromethoxy)phenyl]aniline

C13H10F3NO — CID 16768545

IUPAC4-[2-(trifluoromethoxy)phenyl]aniline
SMILESNc1ccc(-c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)18-12-4-2-1-3-11(12)9-5-7-10(17)8-6-9/h1-8H,17H2
InChIKeyZIVXGXBFKUAQMQ-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.83
Rot. Bonds2

About 4-[2-(trifluoromethoxy)phenyl]aniline

4-[2-(trifluoromethoxy)phenyl]aniline (PubChem CID 16768545) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)phenyl]aniline
PubChem CID16768545
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-[2-(trifluoromethoxy)phenyl]aniline
SMILESNc1ccc(-c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)18-12-4-2-1-3-11(12)9-5-7-10(17)8-6-9/h1-8H,17H2
InChIKeyZIVXGXBFKUAQMQ-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.83
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-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
CID 89422799
1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118833201
2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline
CID 164512500
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 4-[2-(trifluoromethoxy)phenyl]aniline (CID 16768545) is 4-[2-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 4-[2-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 4-[2-(trifluoromethoxy)phenyl]aniline is Nc1ccc(-c2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-[2-(trifluoromethoxy)phenyl]aniline?
The InChIKey is ZIVXGXBFKUAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)18-12-4-2-1-3-11(12)9-5-7-10(17)8-6-9/h1-8H,17H2.
What are the key properties of 4-[2-(trifluoromethoxy)phenyl]aniline?
4-[2-(trifluoromethoxy)phenyl]aniline has a molecular weight of 253.22 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 16768545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).