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

C14H11F6NO — CID 138964267

IUPAC(5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1
InChIInChI=1S/C14H11F6NO/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)1-2-11-3-4-12(22)21-11/h1-2,5-7,11H,3-4H2,(H,21,22)/b2-1+/t11-/m0/s1
InChIKeyCYGRGWJTNARTBY-GXFZAYBSSA-N
MW323.24 g/mol
LogP4.02
Rot. Bonds2

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

(5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one (PubChem CID 138964267) has the molecular formula C14H11F6NO and a molecular weight of 323.24 g/mol. Its IUPAC name is (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
PubChem CID138964267
Molecular FormulaC14H11F6NO
Molecular Weight323.24 g/mol
Exact Mass323.07
IUPAC Name(5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1
InChIInChI=1S/C14H11F6NO/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)1-2-11-3-4-12(22)21-11/h1-2,5-7,11H,3-4H2,(H,21,22)/b2-1+/t11-/m0/s1
InChIKeyCYGRGWJTNARTBY-GXFZAYBSSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one (CID 138964267) is (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one is O=C1CC[C@H](/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1.
What is the InChIKey of (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The InChIKey is CYGRGWJTNARTBY-GXFZAYBSSA-N. The full InChI is InChI=1S/C14H11F6NO/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)1-2-11-3-4-12(22)21-11/h1-2,5-7,11H,3-4H2,(H,21,22)/b2-1+/t11-/m0/s1.
What are the key properties of (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
(5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one has a molecular weight of 323.24 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 138964267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).