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

C18H14F3NO — CID 15672494

IUPAC3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C18H14F3NO/c19-18(20,21)13-8-4-7-12(9-13)16-15(22)10-14(17(16)23)11-5-2-1-3-6-11/h1-9,14H,10,22H2
InChIKeyRTUXGVJGMPNEAP-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.13
Rot. Bonds2

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

3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 15672494) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID15672494
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C18H14F3NO/c19-18(20,21)13-8-4-7-12(9-13)16-15(22)10-14(17(16)23)11-5-2-1-3-6-11/h1-9,14H,10,22H2
InChIKeyRTUXGVJGMPNEAP-UHFFFAOYSA-N
XLogP4.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 15672494) is 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is NC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1.
What is the InChIKey of 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is RTUXGVJGMPNEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c19-18(20,21)13-8-4-7-12(9-13)16-15(22)10-14(17(16)23)11-5-2-1-3-6-11/h1-9,14H,10,22H2.
What are the key properties of 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 317.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15672494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).