3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline

C14H11ClF3NO — CID 90004526

IUPAC3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline
SMILESFC(F)(F)c1cccc(CONc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClF3NO/c15-12-5-2-6-13(8-12)19-20-9-10-3-1-4-11(7-10)14(16,17)18/h1-8,19H,9H2
InChIKeyZBBKYMFGSKXNAR-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.90
Rot. Bonds4

About 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline

3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline (PubChem CID 90004526) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline.

Molecular Properties

Compound Name3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline
PubChem CID90004526
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline
SMILESFC(F)(F)c1cccc(CONc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClF3NO/c15-12-5-2-6-13(8-12)19-20-9-10-3-1-4-11(7-10)14(16,17)18/h1-8,19H,9H2
InChIKeyZBBKYMFGSKXNAR-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The IUPAC name of 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline (CID 90004526) is 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline.
What is the SMILES notation for 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The canonical SMILES for 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline is FC(F)(F)c1cccc(CONc2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The InChIKey is ZBBKYMFGSKXNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-12-5-2-6-13(8-12)19-20-9-10-3-1-4-11(7-10)14(16,17)18/h1-8,19H,9H2.
What are the key properties of 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline has a molecular weight of 301.70 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline is sourced from PubChem (CID 90004526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).