2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone

C9H12F2N2O — CID 115611827

IUPAC2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(CC(=O)c1ccc[nH]1)CC(F)F
InChIInChI=1S/C9H12F2N2O/c1-13(6-9(10)11)5-8(14)7-3-2-4-12-7/h2-4,9,12H,5-6H2,1H3
InChIKeyNSUYBIGKTXXNEC-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.39
Rot. Bonds5

About 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone

2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 115611827) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID115611827
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(CC(=O)c1ccc[nH]1)CC(F)F
InChIInChI=1S/C9H12F2N2O/c1-13(6-9(10)11)5-8(14)7-3-2-4-12-7/h2-4,9,12H,5-6H2,1H3
InChIKeyNSUYBIGKTXXNEC-UHFFFAOYSA-N
XLogP1.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methoxyethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 61036387
2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43795802
2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43433568
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 54943540
2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 43219598
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60681614
2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 71641896
2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide
CID 77144700
3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 63956842
N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115765120
2-[cyclopropylmethyl(propyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60649803

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone (CID 115611827) is 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone is CN(CC(=O)c1ccc[nH]1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is NSUYBIGKTXXNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-13(6-9(10)11)5-8(14)7-3-2-4-12-7/h2-4,9,12H,5-6H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 202.20 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 115611827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).