2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline

C14H14FNOS — CID 144838384

IUPAC2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline
SMILESCNc1cccc(OC)c1/C=C/c1cc(F)cs1
InChIInChI=1S/C14H14FNOS/c1-16-13-4-3-5-14(17-2)12(13)7-6-11-8-10(15)9-18-11/h3-9,16H,1-2H3/b7-6+
InChIKeyDWORKBJXDYLQTE-VOTSOKGWSA-N
MW263.34 g/mol
LogP4.11
Rot. Bonds4

About 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline

2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline (PubChem CID 144838384) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline
PubChem CID144838384
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline
SMILESCNc1cccc(OC)c1/C=C/c1cc(F)cs1
InChIInChI=1S/C14H14FNOS/c1-16-13-4-3-5-14(17-2)12(13)7-6-11-8-10(15)9-18-11/h3-9,16H,1-2H3/b7-6+
InChIKeyDWORKBJXDYLQTE-VOTSOKGWSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline?
The IUPAC name of 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline (CID 144838384) is 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline?
The canonical SMILES for 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline is CNc1cccc(OC)c1/C=C/c1cc(F)cs1.
What is the InChIKey of 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline?
The InChIKey is DWORKBJXDYLQTE-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-16-13-4-3-5-14(17-2)12(13)7-6-11-8-10(15)9-18-11/h3-9,16H,1-2H3/b7-6+.
What are the key properties of 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline?
2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline has a molecular weight of 263.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorothiophen-2-yl)ethenyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 144838384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).