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

C13H11F4NO — CID 22153066

IUPAC3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CF)C1
InChIInChI=1S/C13H11F4NO/c14-6-8-5-10(18)11(12(8)19)7-2-1-3-9(4-7)13(15,16)17/h1-4,8H,5-6,18H2
InChIKeySYLQNKPCJAXUQH-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.93
Rot. Bonds2

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

3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 22153066) has the molecular formula C13H11F4NO and a molecular weight of 273.23 g/mol. Its IUPAC name is 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID22153066
Molecular FormulaC13H11F4NO
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CF)C1
InChIInChI=1S/C13H11F4NO/c14-6-8-5-10(18)11(12(8)19)7-2-1-3-9(4-7)13(15,16)17/h1-4,8H,5-6,18H2
InChIKeySYLQNKPCJAXUQH-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 22153066) is 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is NC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CF)C1.
What is the InChIKey of 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is SYLQNKPCJAXUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO/c14-6-8-5-10(18)11(12(8)19)7-2-1-3-9(4-7)13(15,16)17/h1-4,8H,5-6,18H2.
What are the key properties of 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 273.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 22153066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).