4-chloro-2,6-difluoro-N-methylaniline

C7H6ClF2N — CID 21161260

IUPAC4-chloro-2,6-difluoro-N-methylaniline
SMILESCNc1c(F)cc(Cl)cc1F
InChIInChI=1S/C7H6ClF2N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyGAYNNBOIEWISEP-UHFFFAOYSA-N
MW177.58 g/mol
LogP2.66
Rot. Bonds1

About 4-chloro-2,6-difluoro-N-methylaniline

4-chloro-2,6-difluoro-N-methylaniline (PubChem CID 21161260) has the molecular formula C7H6ClF2N and a molecular weight of 177.58 g/mol. Its IUPAC name is 4-chloro-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2,6-difluoro-N-methylaniline
PubChem CID21161260
Molecular FormulaC7H6ClF2N
Molecular Weight177.58 g/mol
Exact Mass177.02
IUPAC Name4-chloro-2,6-difluoro-N-methylaniline
SMILESCNc1c(F)cc(Cl)cc1F
InChIInChI=1S/C7H6ClF2N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyGAYNNBOIEWISEP-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.58
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-chloro-2,6-difluoro-N-methylaniline (CID 21161260) is 4-chloro-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-chloro-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-chloro-2,6-difluoro-N-methylaniline is CNc1c(F)cc(Cl)cc1F.
What is the InChIKey of 4-chloro-2,6-difluoro-N-methylaniline?
The InChIKey is GAYNNBOIEWISEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3.
What are the key properties of 4-chloro-2,6-difluoro-N-methylaniline?
4-chloro-2,6-difluoro-N-methylaniline has a molecular weight of 177.58 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 21161260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).