4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline

C14H9F6NO — CID 175020161

IUPAC4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(OC(F)(F)c2ccccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C14H9F6NO/c15-11-4-2-1-3-9(11)14(19,20)22-12-6-5-8(21)7-10(12)13(16,17)18/h1-7H,21H2
InChIKeyUHXNOYLHTOVNLU-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.55
Rot. Bonds3

About 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline

4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline (PubChem CID 175020161) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
PubChem CID175020161
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(OC(F)(F)c2ccccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C14H9F6NO/c15-11-4-2-1-3-9(11)14(19,20)22-12-6-5-8(21)7-10(12)13(16,17)18/h1-7H,21H2
InChIKeyUHXNOYLHTOVNLU-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.55
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

3-[difluoro-(2-fluorophenyl)methoxy]aniline
CID 175208766
4-[difluoro-(2-fluorophenyl)methoxy]-2-(trifluoromethyl)aniline
CID 175021261
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 134474831
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
CID 167742653
4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]-3-(trifluoromethyl)aniline
CID 54530043

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline (CID 175020161) is 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline is Nc1ccc(OC(F)(F)c2ccccc2F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline?
The InChIKey is UHXNOYLHTOVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c15-11-4-2-1-3-9(11)14(19,20)22-12-6-5-8(21)7-10(12)13(16,17)18/h1-7H,21H2.
What are the key properties of 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline?
4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline has a molecular weight of 321.22 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 175020161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).