4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline

C13H10ClF2NO — CID 58769980

IUPAC4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline
SMILESCNc1ccc(Cl)cc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H10ClF2NO/c1-17-12-5-2-8(14)6-13(12)18-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyUQOPFWJQYKOWDR-UHFFFAOYSA-N
MW269.68 g/mol
LogP4.45
Rot. Bonds3

About 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline

4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline (PubChem CID 58769980) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline
PubChem CID58769980
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline
SMILESCNc1ccc(Cl)cc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H10ClF2NO/c1-17-12-5-2-8(14)6-13(12)18-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyUQOPFWJQYKOWDR-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline?
The IUPAC name of 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline (CID 58769980) is 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline.
What is the SMILES notation for 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline?
The canonical SMILES for 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline is CNc1ccc(Cl)cc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline?
The InChIKey is UQOPFWJQYKOWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-17-12-5-2-8(14)6-13(12)18-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3.
What are the key properties of 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline?
4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline has a molecular weight of 269.68 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline is sourced from PubChem (CID 58769980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).