2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone

C9H10F3NO — CID 14968210

IUPAC2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone
SMILESCC(C)n1ccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(2)13-4-3-7(5-13)8(14)9(10,11)12/h3-6H,1-2H3
InChIKeyFBXVXUMWNVIYIP-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.81
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone

2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone (PubChem CID 14968210) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone
PubChem CID14968210
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone
SMILESCC(C)n1ccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(2)13-4-3-7(5-13)8(14)9(10,11)12/h3-6H,1-2H3
InChIKeyFBXVXUMWNVIYIP-UHFFFAOYSA-N
XLogP2.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetylpyrrole
CID 2737793
3-Acetyl-1-methylpyrrole
CID 523057
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethan-1-one
CID 14890897
1-(1,2-Dimethyl-1H-pyrrol-3-yl)ethanone
CID 13806152
2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one
CID 14968208
1-(1,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 57737807
3-Acetyl-2-difluoromethyl-N-methylpyrrole
CID 75530047
3-Acetyl-1-ethenylpyrrole
CID 10606786
1-(1-Butyl-1H-pyrrol-3-yl)ethanone
CID 15112379
1-(1-Isobutyl-1H-pyrrol-3-yl)ethanone
CID 15112380
1-(1-(tert-butyl)-1H-pyrrol-3-yl)ethanone
CID 15112382
1-(1-benzyl-1H-pyrrol-3-yl)ethanone
CID 15717746

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone (CID 14968210) is 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone is CC(C)n1ccc(C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone?
The InChIKey is FBXVXUMWNVIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(2)13-4-3-7(5-13)8(14)9(10,11)12/h3-6H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone?
2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-3-yl)ethanone has a molecular weight of 205.18 g/mol, XLogP of 2.81, 2 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-(1-propan-2-ylpyrrol-3-yl)ethanone is sourced from PubChem (CID 14968210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).