1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one

C14H11F6NO — CID 102308122

IUPAC1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
SMILESO=C1CCCN1/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F6NO/c15-13(16,17)10-6-9(7-11(8-10)14(18,19)20)3-5-21-4-1-2-12(21)22/h3,5-8H,1-2,4H2/b5-3+
InChIKeyJTDGKCLNFGXHCP-HWKANZROSA-N
MW323.24 g/mol
LogP4.32
Rot. Bonds2

About 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one

1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one (PubChem CID 102308122) has the molecular formula C14H11F6NO and a molecular weight of 323.24 g/mol. Its IUPAC name is 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
PubChem CID102308122
Molecular FormulaC14H11F6NO
Molecular Weight323.24 g/mol
Exact Mass323.07
IUPAC Name1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
SMILESO=C1CCCN1/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F6NO/c15-13(16,17)10-6-9(7-11(8-10)14(18,19)20)3-5-21-4-1-2-12(21)22/h3,5-8H,1-2,4H2/b5-3+
InChIKeyJTDGKCLNFGXHCP-HWKANZROSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
CID 124586002
1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one
CID 89021669
1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one
CID 56964850
(5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
CID 138964267
1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2807570
1-penta-1,3-dienylpyrrolidin-2-one
CID 170549947
1-[(E)-3-oxobut-1-enyl]pyrrolidin-2-one
CID 131233341
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407
[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane
CID 15312137
1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one
CID 72907484
(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
CID 6928964
1-[3-(trifluoromethyl)anilino]piperidin-2-one
CID 10729883

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one (CID 102308122) is 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one is O=C1CCCN1/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The InChIKey is JTDGKCLNFGXHCP-HWKANZROSA-N. The full InChI is InChI=1S/C14H11F6NO/c15-13(16,17)10-6-9(7-11(8-10)14(18,19)20)3-5-21-4-1-2-12(21)22/h3,5-8H,1-2,4H2/b5-3+.
What are the key properties of 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one has a molecular weight of 323.24 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 102308122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).