4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline

C14H10F5NO — CID 81264640

IUPAC4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(COc2c(F)cccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F5NO/c15-11-2-1-3-12(16)13(11)21-7-8-4-5-9(20)6-10(8)14(17,18)19/h1-6H,7,20H2
InChIKeyCYJDSKFQJPBOOJ-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.14
Rot. Bonds3

About 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline

4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline (PubChem CID 81264640) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline
PubChem CID81264640
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(COc2c(F)cccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F5NO/c15-11-2-1-3-12(16)13(11)21-7-8-4-5-9(20)6-10(8)14(17,18)19/h1-6H,7,20H2
InChIKeyCYJDSKFQJPBOOJ-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.14
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

4-[(2,6-dichlorophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117337
4-[(2-bromophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117259
4-[(2,5-dichlorophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117044
4-(fluoromethyl)-3-(trifluoromethyl)aniline
CID 91883575
CID 147886806
CID 147886806
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
4-(2-cyclopropylethoxymethyl)-3-(trifluoromethyl)aniline
CID 106199866
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
4-[(2-bromo-5-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 63404713
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-(trifluoromethyl)aniline
CID 81118075
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 60926447

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline (CID 81264640) is 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline is Nc1ccc(COc2c(F)cccc2F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is CYJDSKFQJPBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-11-2-1-3-12(16)13(11)21-7-8-4-5-9(20)6-10(8)14(17,18)19/h1-6H,7,20H2.
What are the key properties of 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline?
4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 303.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81264640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).