3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline

C14H10F5NO — CID 63735664

IUPAC3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2ccccc2C(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C14H10F5NO/c15-13(16)9-7-8(20)5-6-11(9)21-12-4-2-1-3-10(12)14(17,18)19/h1-7,13H,20H2
InChIKeyRYADTYODRZDIKA-UHFFFAOYSA-N
MW303.23 g/mol
LogP5.02
Rot. Bonds3

About 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline

3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline (PubChem CID 63735664) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline
PubChem CID63735664
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2ccccc2C(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C14H10F5NO/c15-13(16)9-7-8(20)5-6-11(9)21-12-4-2-1-3-10(12)14(17,18)19/h1-7,13H,20H2
InChIKeyRYADTYODRZDIKA-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]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

3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
3-(difluoromethyl)-4-(2-methylsulfanylphenoxy)aniline
CID 63735003
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-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
4-(3-chloro-2-fluorophenoxy)-3-(difluoromethyl)aniline
CID 116688566
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
2,4-bis(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]aniline
CID 57128083
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline
CID 63735666
2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107711923
3-(difluoromethyl)-4-(4,4,4-trifluorobutoxy)aniline
CID 82787858

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline (CID 63735664) is 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline is Nc1ccc(Oc2ccccc2C(F)(F)F)c(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline?
The InChIKey is RYADTYODRZDIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-13(16)9-7-8(20)5-6-11(9)21-12-4-2-1-3-10(12)14(17,18)19/h1-7,13H,20H2.
What are the key properties of 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline?
3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline has a molecular weight of 303.23 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 63735664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).