2-ethenyl-5-fluoro-4-methoxy-N-methylaniline

C10H12FNO — CID 122519559

IUPAC2-ethenyl-5-fluoro-4-methoxy-N-methylaniline
SMILESC=Cc1cc(OC)c(F)cc1NC
InChIInChI=1S/C10H12FNO/c1-4-7-5-10(13-3)8(11)6-9(7)12-2/h4-6,12H,1H2,2-3H3
InChIKeyQLMGZDYOFIBOSD-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.52
Rot. Bonds3

About 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline

2-ethenyl-5-fluoro-4-methoxy-N-methylaniline (PubChem CID 122519559) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline.

Molecular Properties

Compound Name2-ethenyl-5-fluoro-4-methoxy-N-methylaniline
PubChem CID122519559
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-ethenyl-5-fluoro-4-methoxy-N-methylaniline
SMILESC=Cc1cc(OC)c(F)cc1NC
InChIInChI=1S/C10H12FNO/c1-4-7-5-10(13-3)8(11)6-9(7)12-2/h4-6,12H,1H2,2-3H3
InChIKeyQLMGZDYOFIBOSD-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.52
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 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline?
The IUPAC name of 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline (CID 122519559) is 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline.
What is the SMILES notation for 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline?
The canonical SMILES for 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline is C=Cc1cc(OC)c(F)cc1NC.
What is the InChIKey of 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline?
The InChIKey is QLMGZDYOFIBOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-4-7-5-10(13-3)8(11)6-9(7)12-2/h4-6,12H,1H2,2-3H3.
What are the key properties of 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline?
2-ethenyl-5-fluoro-4-methoxy-N-methylaniline has a molecular weight of 181.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-fluoro-4-methoxy-N-methylaniline is sourced from PubChem (CID 122519559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).