2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone

C12H14FNOS — CID 86697889

IUPAC2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone
SMILESC=CCN(CC=C)CC(=O)c1ccc(F)s1
InChIInChI=1S/C12H14FNOS/c1-3-7-14(8-4-2)9-10(15)11-5-6-12(13)16-11/h3-6H,1-2,7-9H2
InChIKeyGTJKWRZROJXPPO-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.74
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone

2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone (PubChem CID 86697889) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone
PubChem CID86697889
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone
SMILESC=CCN(CC=C)CC(=O)c1ccc(F)s1
InChIInChI=1S/C12H14FNOS/c1-3-7-14(8-4-2)9-10(15)11-5-6-12(13)16-11/h3-6H,1-2,7-9H2
InChIKeyGTJKWRZROJXPPO-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone (CID 86697889) is 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone is C=CCN(CC=C)CC(=O)c1ccc(F)s1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone?
The InChIKey is GTJKWRZROJXPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c1-3-7-14(8-4-2)9-10(15)11-5-6-12(13)16-11/h3-6H,1-2,7-9H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone?
2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone has a molecular weight of 239.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1-(5-fluorothiophen-2-yl)ethanone is sourced from PubChem (CID 86697889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).