3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

C14H14F3NO — CID 15672499

IUPAC3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCC1CC(N)=C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H14F3NO/c1-2-8-7-11(18)12(13(8)19)9-4-3-5-10(6-9)14(15,16)17/h3-6,8H,2,7,18H2,1H3
InChIKeyZWZBKWHLZVCSSK-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.37
Rot. Bonds2

About 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 15672499) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID15672499
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCC1CC(N)=C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H14F3NO/c1-2-8-7-11(18)12(13(8)19)9-4-3-5-10(6-9)14(15,16)17/h3-6,8H,2,7,18H2,1H3
InChIKeyZWZBKWHLZVCSSK-UHFFFAOYSA-N
XLogP3.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 15672499) is 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CCC1CC(N)=C(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is ZWZBKWHLZVCSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-8-7-11(18)12(13(8)19)9-4-3-5-10(6-9)14(15,16)17/h3-6,8H,2,7,18H2,1H3.
What are the key properties of 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 269.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15672499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).