2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone

C7H8F3NO — CID 135077640

IUPAC2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone
SMILESCC1=C(C(=O)C(F)(F)F)CCN1
InChIInChI=1S/C7H8F3NO/c1-4-5(2-3-11-4)6(12)7(8,9)10/h11H,2-3H2,1H3
InChIKeyGPFQXSLRGXCQFU-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.39
Rot. Bonds1

About 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone

2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone (PubChem CID 135077640) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone
PubChem CID135077640
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone
SMILESCC1=C(C(=O)C(F)(F)F)CCN1
InChIInChI=1S/C7H8F3NO/c1-4-5(2-3-11-4)6(12)7(8,9)10/h11H,2-3H2,1H3
InChIKeyGPFQXSLRGXCQFU-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-(propylamino)cyclopent-2-en-1-one
CID 579876
3-Methyl-4-(2,2,2-trifluoroethylamino)cyclobut-3-ene-1,2-dione
CID 88906655
2,2,2-Trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone
CID 53406242
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylamino)pent-3-en-2-one
CID 73703842
3-(2,2,2-Trifluoroethylamino)cyclopent-2-en-1-one
CID 104788202
3-(3,3,3-Trifluoropropylamino)cyclopent-2-en-1-one
CID 104788497
3-(2,2-Difluoroethylamino)cyclopent-2-en-1-one
CID 104788653
3-(4,4,4-Trifluorobutylamino)cyclopent-2-en-1-one
CID 104788655
3-(5,5,5-Trifluoropentylamino)cyclopent-2-en-1-one
CID 104788656
3-(4,4,4-Trifluorobutan-2-ylamino)cyclopent-2-en-1-one
CID 105940404
3-(3,3-Difluorobutylamino)cyclopent-2-en-1-one
CID 126991755
3-(1,1,1-Trifluoropropan-2-ylamino)cyclopent-2-en-1-one
CID 127006741

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone (CID 135077640) is 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone is CC1=C(C(=O)C(F)(F)F)CCN1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone?
The InChIKey is GPFQXSLRGXCQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4-5(2-3-11-4)6(12)7(8,9)10/h11H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone?
2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone has a molecular weight of 179.14 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone is sourced from PubChem (CID 135077640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).