ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one

C11H15F2NO — CID 145414211

IUPACethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
SMILESC=CC1=C(C(=C)C)C(F)(F)C(=O)N1.CC
InChIInChI=1S/C9H9F2NO.C2H6/c1-4-6-7(5(2)3)9(10,11)8(13)12-6;1-2/h4H,1-2H2,3H3,(H,12,13);1-2H3
InChIKeyDQEKFWVGFVIXHR-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.79
Rot. Bonds2

About ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one

ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one (PubChem CID 145414211) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one.

Molecular Properties

Compound Nameethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
PubChem CID145414211
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Nameethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
SMILESC=CC1=C(C(=C)C)C(F)(F)C(=O)N1.CC
InChIInChI=1S/C9H9F2NO.C2H6/c1-4-6-7(5(2)3)9(10,11)8(13)12-6;1-2/h4H,1-2H2,3H3,(H,12,13);1-2H3
InChIKeyDQEKFWVGFVIXHR-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The IUPAC name of ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one (CID 145414211) is ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one.
What is the SMILES notation for ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The canonical SMILES for ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one is C=CC1=C(C(=C)C)C(F)(F)C(=O)N1.CC.
What is the InChIKey of ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The InChIKey is DQEKFWVGFVIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO.C2H6/c1-4-6-7(5(2)3)9(10,11)8(13)12-6;1-2/h4H,1-2H2,3H3,(H,12,13);1-2H3.
What are the key properties of ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one?
ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one has a molecular weight of 215.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one is sourced from PubChem (CID 145414211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).