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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Related Compounds

5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57194570
methyl 2-[[3-oxo-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentylidene]amino]butanoate
CID 57251375
2,2,7,7-tetramethyl-9-[3-(trifluoromethyl)phenyl]-3,4,5,6,9,10-hexahydroacridine-1,8-dione
CID 10319812
3,3,6,6-tetramethyl-9-[3-(trifluoromethyl)phenyl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 1147848
2-[3-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 105485228
2-ethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416408
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one
CID 71698017
1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one
CID 66618912
2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114671510
methyl 2-[[4-naphthalen-1-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopentylidene]amino]butanoate
CID 57088484
[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557656

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).