2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone

C7H8F3NO — CID 45080788

IUPAC2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone
SMILESCC1=CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-5-3-2-4-11(5)6(12)7(8,9)10/h3H,2,4H2,1H3
InChIKeyHGHGNWSWGKWPDE-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.68
Rot. Bonds

About 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone

2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone (PubChem CID 45080788) 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-dihydropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone
PubChem CID45080788
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone
SMILESCC1=CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-5-3-2-4-11(5)6(12)7(8,9)10/h3H,2,4H2,1H3
InChIKeyHGHGNWSWGKWPDE-UHFFFAOYSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone (CID 45080788) is 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone is CC1=CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone?
The InChIKey is HGHGNWSWGKWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-5-3-2-4-11(5)6(12)7(8,9)10/h3H,2,4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone?
2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone has a molecular weight of 179.14 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyl-2,3-dihydropyrrol-1-yl)ethanone is sourced from PubChem (CID 45080788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).