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

C16H18F3NO — CID 22153153

IUPAC5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CC)C1
InChIInChI=1S/C16H18F3NO/c1-3-10-9-13(20-4-2)14(15(10)21)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,20H,3-4,9H2,1-2H3
InChIKeyDIFVOQFIZYQFBZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.03
Rot. Bonds4

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

5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 22153153) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID22153153
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CC)C1
InChIInChI=1S/C16H18F3NO/c1-3-10-9-13(20-4-2)14(15(10)21)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,20H,3-4,9H2,1-2H3
InChIKeyDIFVOQFIZYQFBZ-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-(methoxymethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153223
3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153157
methyl N-[4-ethyl-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopenten-1-yl]-N-methylcarbamate
CID 70426462
3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153066
5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153254
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57194570
2-ethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416408
2-(2,3-dihydro-1H-pyrrol-4-yl)-5-(ethylsulfanylmethylamino)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 70452783
5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 138402746
5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 70456358
2-[(4-acetylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
CID 118124480

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 22153153) is 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CC)C1.
What is the InChIKey of 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is DIFVOQFIZYQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-3-10-9-13(20-4-2)14(15(10)21)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,20H,3-4,9H2,1-2H3.
What are the key properties of 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 297.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 22153153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).