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

C14H10F5NO2 — CID 171384957

IUPAC2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1OC(F)F
InChIInChI=1S/C14H10F5NO2/c15-13(16)21-12-7-9(3-6-11(12)20)8-1-4-10(5-2-8)22-14(17,18)19/h1-7,13H,20H2
InChIKeyDONQDKZTAHWXHM-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.44
Rot. Bonds4

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

2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 171384957) has the molecular formula C14H10F5NO2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID171384957
Molecular FormulaC14H10F5NO2
Molecular Weight319.23 g/mol
Exact Mass319.06
IUPAC Name2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1OC(F)F
InChIInChI=1S/C14H10F5NO2/c15-13(16)21-12-7-9(3-6-11(12)20)8-1-4-10(5-2-8)22-14(17,18)19/h1-7,13H,20H2
InChIKeyDONQDKZTAHWXHM-UHFFFAOYSA-N
XLogP4.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
2-hexoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 58008111
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
2-(difluoromethoxy)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]aniline
CID 171384969
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline (CID 171384957) is 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline is Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is DONQDKZTAHWXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO2/c15-13(16)21-12-7-9(3-6-11(12)20)8-1-4-10(5-2-8)22-14(17,18)19/h1-7,13H,20H2.
What are the key properties of 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline?
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 319.23 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 171384957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).