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

C13H11F4NO — CID 57097845

IUPAC5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(CF)C(=O)C1c1cccc(C(F)(F)F)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/h1-4,8,11,18H,5-6H2/b18-10+
InChIKeyPXZCKSOONRFJCC-VCHYOVAHSA-N
MW273.23 g/mol
LogP3.37
Rot. Bonds2

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

5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57097845) has the molecular formula C13H11F4NO and a molecular weight of 273.23 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57097845
Molecular FormulaC13H11F4NO
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(CF)C(=O)C1c1cccc(C(F)(F)F)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/h1-4,8,11,18H,5-6H2/b18-10+
InChIKeyPXZCKSOONRFJCC-VCHYOVAHSA-N
XLogP3.37
TPSA40.92 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 ≤ 53.37
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 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57097845) is 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is [H]/N=C1\CC(CF)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is PXZCKSOONRFJCC-VCHYOVAHSA-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/h1-4,8,11,18H,5-6H2/b18-10+.
What are the key properties of 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 273.23 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 5-(fluoromethyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57097845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).