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

C9H9ClFN — CID 145099608

IUPAC2-chloro-6-ethenyl-3-fluoro-N-methylaniline
SMILESC=Cc1ccc(F)c(Cl)c1NC
InChIInChI=1S/C9H9ClFN/c1-3-6-4-5-7(11)8(10)9(6)12-2/h3-5,12H,1H2,2H3
InChIKeyQWELGWNCEXXSSV-UHFFFAOYSA-N
MW185.63 g/mol
LogP3.16
Rot. Bonds2

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

2-chloro-6-ethenyl-3-fluoro-N-methylaniline (PubChem CID 145099608) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 2-chloro-6-ethenyl-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-chloro-6-ethenyl-3-fluoro-N-methylaniline
PubChem CID145099608
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name2-chloro-6-ethenyl-3-fluoro-N-methylaniline
SMILESC=Cc1ccc(F)c(Cl)c1NC
InChIInChI=1S/C9H9ClFN/c1-3-6-4-5-7(11)8(10)9(6)12-2/h3-5,12H,1H2,2H3
InChIKeyQWELGWNCEXXSSV-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethenyl-3-fluoro-N-methylaniline?
The IUPAC name of 2-chloro-6-ethenyl-3-fluoro-N-methylaniline (CID 145099608) is 2-chloro-6-ethenyl-3-fluoro-N-methylaniline.
What is the SMILES notation for 2-chloro-6-ethenyl-3-fluoro-N-methylaniline?
The canonical SMILES for 2-chloro-6-ethenyl-3-fluoro-N-methylaniline is C=Cc1ccc(F)c(Cl)c1NC.
What is the InChIKey of 2-chloro-6-ethenyl-3-fluoro-N-methylaniline?
The InChIKey is QWELGWNCEXXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c1-3-6-4-5-7(11)8(10)9(6)12-2/h3-5,12H,1H2,2H3.
What are the key properties of 2-chloro-6-ethenyl-3-fluoro-N-methylaniline?
2-chloro-6-ethenyl-3-fluoro-N-methylaniline has a molecular weight of 185.63 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethenyl-3-fluoro-N-methylaniline is sourced from PubChem (CID 145099608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).