6-chloro-2-fluoro-3-methoxy-N-methylaniline

C8H9ClFNO — CID 129232161

IUPAC6-chloro-2-fluoro-3-methoxy-N-methylaniline
SMILESCNc1c(Cl)ccc(OC)c1F
InChIInChI=1S/C8H9ClFNO/c1-11-8-5(9)3-4-6(12-2)7(8)10/h3-4,11H,1-2H3
InChIKeyGZMIEAOGDGBOAU-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.53
Rot. Bonds2

About 6-chloro-2-fluoro-3-methoxy-N-methylaniline

6-chloro-2-fluoro-3-methoxy-N-methylaniline (PubChem CID 129232161) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methoxy-N-methylaniline.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methoxy-N-methylaniline
PubChem CID129232161
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name6-chloro-2-fluoro-3-methoxy-N-methylaniline
SMILESCNc1c(Cl)ccc(OC)c1F
InChIInChI=1S/C8H9ClFNO/c1-11-8-5(9)3-4-6(12-2)7(8)10/h3-4,11H,1-2H3
InChIKeyGZMIEAOGDGBOAU-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methoxy-N-methylaniline?
The IUPAC name of 6-chloro-2-fluoro-3-methoxy-N-methylaniline (CID 129232161) is 6-chloro-2-fluoro-3-methoxy-N-methylaniline.
What is the SMILES notation for 6-chloro-2-fluoro-3-methoxy-N-methylaniline?
The canonical SMILES for 6-chloro-2-fluoro-3-methoxy-N-methylaniline is CNc1c(Cl)ccc(OC)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methoxy-N-methylaniline?
The InChIKey is GZMIEAOGDGBOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-11-8-5(9)3-4-6(12-2)7(8)10/h3-4,11H,1-2H3.
What are the key properties of 6-chloro-2-fluoro-3-methoxy-N-methylaniline?
6-chloro-2-fluoro-3-methoxy-N-methylaniline has a molecular weight of 189.62 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-methoxy-N-methylaniline is sourced from PubChem (CID 129232161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).