4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline

C13H9ClF3NO — CID 726092

IUPAC4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO/c14-8-1-4-10(5-2-8)19-12-6-3-9(18)7-11(12)13(15,16)17/h1-7H,18H2
InChIKeyLEIVFIRDFAJXDA-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.73
Rot. Bonds2

About 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline

4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline (PubChem CID 726092) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline
PubChem CID726092
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO/c14-8-1-4-10(5-2-8)19-12-6-3-9(18)7-11(12)13(15,16)17/h1-7H,18H2
InChIKeyLEIVFIRDFAJXDA-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.73
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-(4-Chlorophenoxy)aniline
CID 7578
5-Amino-2-methoxybenzotrifluoride
CID 600705
2-(4-Chlorophenoxy)-5-(trifluoromethyl)aniline
CID 67677
4-(3,4-Dichlorophenoxy)-3-((dimethylamino)methyl)aniline
CID 22019270
Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-
CID 514869
4-(o-Tolyloxy)aniline
CID 92505
4-[[4-(Trifluoromethyl)phenyl]methoxy]aniline;hydrochloride
CID 145978282
4-(3-Fluoro-benzyloxy)-phenylamine hydrochloride
CID 22055258
3-((2-Chloro-4-(trifluoromethyl)phenoxy)methyl)aniline
CID 155146049
4-[(2-Fluorophenyl)methoxy]aniline hydrochloride
CID 47002592
4-Benzyloxy-3-chloroaniline
CID 1268285
3-Chloro-4-(3-fluorobenzyloxy)aniline
CID 7059263

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline (CID 726092) is 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline?
The InChIKey is LEIVFIRDFAJXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-8-1-4-10(5-2-8)19-12-6-3-9(18)7-11(12)13(15,16)17/h1-7H,18H2.
What are the key properties of 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline?
4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline has a molecular weight of 287.67 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 726092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).