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

C15H13ClF3NO — CID 56977519

IUPAC5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(C=CCl)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c1-20-12-8-10(5-6-16)14(21)13(12)9-3-2-4-11(7-9)15(17,18)19/h2-7,10,13H,8H2,1H3/b6-5?,20-12+
InChIKeyHIPXXSTVKZIGBQ-MWJKBWPFSA-N
MW315.72 g/mol
LogP4.20
Rot. Bonds2

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

5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 56977519) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID56977519
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(C=CCl)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c1-20-12-8-10(5-6-16)14(21)13(12)9-3-2-4-11(7-9)15(17,18)19/h2-7,10,13H,8H2,1H3/b6-5?,20-12+
InChIKeyHIPXXSTVKZIGBQ-MWJKBWPFSA-N
XLogP4.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.20
H-Bond Donors ≤ 50
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-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 56977519) is 5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is C/N=C1\CC(C=CCl)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is HIPXXSTVKZIGBQ-MWJKBWPFSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-20-12-8-10(5-6-16)14(21)13(12)9-3-2-4-11(7-9)15(17,18)19/h2-7,10,13H,8H2,1H3/b6-5?,20-12+.
What are the key properties of 5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 315.72 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 56977519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).