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

C13H10F3NO — CID 175208766

IUPAC3-[difluoro-(2-fluorophenyl)methoxy]aniline
SMILESNc1cccc(OC(F)(F)c2ccccc2F)c1
InChIInChI=1S/C13H10F3NO/c14-12-7-2-1-6-11(12)13(15,16)18-10-5-3-4-9(17)8-10/h1-8H,17H2
InChIKeyVEMFYFLYKOUNRM-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.54
Rot. Bonds3

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

3-[difluoro-(2-fluorophenyl)methoxy]aniline (PubChem CID 175208766) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 3-[difluoro-(2-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3-[difluoro-(2-fluorophenyl)methoxy]aniline
PubChem CID175208766
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name3-[difluoro-(2-fluorophenyl)methoxy]aniline
SMILESNc1cccc(OC(F)(F)c2ccccc2F)c1
InChIInChI=1S/C13H10F3NO/c14-12-7-2-1-6-11(12)13(15,16)18-10-5-3-4-9(17)8-10/h1-8H,17H2
InChIKeyVEMFYFLYKOUNRM-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[difluoro-(2-fluorophenyl)methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[difluoro-(2-fluorophenyl)methoxy]-2-(trifluoromethyl)aniline
CID 175021261
[3-[difluoro-(2-fluorophenyl)methoxy]phenyl]methanol
CID 91224269
4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 175020161
5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 134474831
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
1-fluoro-2-methoxybenzene;3-methoxyaniline
CID 174853611
3-[2-[2-[2-(3-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 22483776
3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068
(3-aminophenyl) 2-fluorobenzenesulfonate
CID 139996801
1-[difluoro(methylperoxy)methyl]-2-fluorobenzene
CID 161069405
1-[difluoro(phenyl)methoxy]-3-fluorobenzene
CID 142370420
3-(3-phenoxyphenoxy)aniline
CID 68727404

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-(2-fluorophenyl)methoxy]aniline?
The IUPAC name of 3-[difluoro-(2-fluorophenyl)methoxy]aniline (CID 175208766) is 3-[difluoro-(2-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 3-[difluoro-(2-fluorophenyl)methoxy]aniline?
The canonical SMILES for 3-[difluoro-(2-fluorophenyl)methoxy]aniline is Nc1cccc(OC(F)(F)c2ccccc2F)c1.
What is the InChIKey of 3-[difluoro-(2-fluorophenyl)methoxy]aniline?
The InChIKey is VEMFYFLYKOUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-12-7-2-1-6-11(12)13(15,16)18-10-5-3-4-9(17)8-10/h1-8H,17H2.
What are the key properties of 3-[difluoro-(2-fluorophenyl)methoxy]aniline?
3-[difluoro-(2-fluorophenyl)methoxy]aniline has a molecular weight of 253.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro-(2-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 175208766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).