3,5-dichloro-4-(difluoromethoxy)-N-methylaniline

C8H7Cl2F2NO — CID 63091968

IUPAC3,5-dichloro-4-(difluoromethoxy)-N-methylaniline
SMILESCNc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H7Cl2F2NO/c1-13-4-2-5(9)7(6(10)3-4)14-8(11)12/h2-3,8,13H,1H3
InChIKeyYPJUXYVXNDFJIA-UHFFFAOYSA-N
MW242.05 g/mol
LogP3.64
Rot. Bonds3

About 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline

3,5-dichloro-4-(difluoromethoxy)-N-methylaniline (PubChem CID 63091968) has the molecular formula C8H7Cl2F2NO and a molecular weight of 242.05 g/mol. Its IUPAC name is 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline.

Molecular Properties

Compound Name3,5-dichloro-4-(difluoromethoxy)-N-methylaniline
PubChem CID63091968
Molecular FormulaC8H7Cl2F2NO
Molecular Weight242.05 g/mol
Exact Mass240.99
IUPAC Name3,5-dichloro-4-(difluoromethoxy)-N-methylaniline
SMILESCNc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H7Cl2F2NO/c1-13-4-2-5(9)7(6(10)3-4)14-8(11)12/h2-3,8,13H,1H3
InChIKeyYPJUXYVXNDFJIA-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline?
The IUPAC name of 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline (CID 63091968) is 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline.
What is the SMILES notation for 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline?
The canonical SMILES for 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline is CNc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline?
The InChIKey is YPJUXYVXNDFJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO/c1-13-4-2-5(9)7(6(10)3-4)14-8(11)12/h2-3,8,13H,1H3.
What are the key properties of 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline?
3,5-dichloro-4-(difluoromethoxy)-N-methylaniline has a molecular weight of 242.05 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(difluoromethoxy)-N-methylaniline is sourced from PubChem (CID 63091968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).