2,2,2-trifluoro-1-pyrrol-1-ylethanone

C6H4F3NO — CID 23352308

IUPAC2,2,2-trifluoro-1-pyrrol-1-ylethanone
SMILESO=C(n1cccc1)C(F)(F)F
InChIInChI=1S/C6H4F3NO/c7-6(8,9)5(11)10-3-1-2-4-10/h1-4H
InChIKeyQIZWBTIFYIMVSA-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.69
Rot. Bonds

About 2,2,2-trifluoro-1-pyrrol-1-ylethanone

2,2,2-trifluoro-1-pyrrol-1-ylethanone (PubChem CID 23352308) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrrol-1-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrrol-1-ylethanone
PubChem CID23352308
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name2,2,2-trifluoro-1-pyrrol-1-ylethanone
SMILESO=C(n1cccc1)C(F)(F)F
InChIInChI=1S/C6H4F3NO/c7-6(8,9)5(11)10-3-1-2-4-10/h1-4H
InChIKeyQIZWBTIFYIMVSA-UHFFFAOYSA-N
XLogP1.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpyrrole
CID 7304
1-(prop-2-en-1-yl)-1H-pyrrole
CID 527525
Methyl 1H-pyrrole-1-carboxylate
CID 77962
N-Acetylpyrrole
CID 521947
Pyrrole-1-carboxamide
CID 237946
1-Vinylpyrrole
CID 5324683
1-Acetyl-3-methylpyrrole
CID 12399782
1-(3-fluoropropyl)-1H-pyrrole
CID 66718297
1H-pyrrole-1-carboxylic acid
CID 3417815
N-(2-hydroxyacetyl)pyrrole
CID 11320937
1-(1H-Pyrrol-1-yl)propan-1-one
CID 11564473
N-Butanoylpyrrole
CID 12853317

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrrol-1-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-pyrrol-1-ylethanone (CID 23352308) is 2,2,2-trifluoro-1-pyrrol-1-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrrol-1-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-pyrrol-1-ylethanone is O=C(n1cccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrrol-1-ylethanone?
The InChIKey is QIZWBTIFYIMVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-6(8,9)5(11)10-3-1-2-4-10/h1-4H.
What are the key properties of 2,2,2-trifluoro-1-pyrrol-1-ylethanone?
2,2,2-trifluoro-1-pyrrol-1-ylethanone has a molecular weight of 163.10 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-pyrrol-1-ylethanone is sourced from PubChem (CID 23352308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).