3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

C18H14F3NO — CID 56985728

IUPAC3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(C(F)(F)F)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/h1-9,14,16,22H,10H2/b22-15+
InChIKeyVKOAQHFMYYTYPR-PXLXIMEGSA-N
MW317.31 g/mol
LogP4.57
Rot. Bonds2

About 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 56985728) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID56985728
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(C(F)(F)F)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/h1-9,14,16,22H,10H2/b22-15+
InChIKeyVKOAQHFMYYTYPR-PXLXIMEGSA-N
XLogP4.57
TPSA40.92 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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 56985728) is 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is [H]/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is VKOAQHFMYYTYPR-PXLXIMEGSA-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/h1-9,14,16,22H,10H2/b22-15+.
What are the key properties of 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 317.31 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 56985728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).