2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone

C8H14F2N2O — CID 103514154

IUPAC2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNCC1CCN(C(=O)C(F)F)C1
InChIInChI=1S/C8H14F2N2O/c1-11-4-6-2-3-12(5-6)8(13)7(9)10/h6-7,11H,2-5H2,1H3
InChIKeyUMBXIRNMMACQQS-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.32
Rot. Bonds3

About 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone

2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone (PubChem CID 103514154) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
PubChem CID103514154
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNCC1CCN(C(=O)C(F)F)C1
InChIInChI=1S/C8H14F2N2O/c1-11-4-6-2-3-12(5-6)8(13)7(9)10/h6-7,11H,2-5H2,1H3
InChIKeyUMBXIRNMMACQQS-UHFFFAOYSA-N
XLogP0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81478302
3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539844
1-[(3S)-3-aminopyrrolidin-1-yl]-2,2-difluoroethanone
CID 103514259
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563
1-[3-(methylaminomethyl)piperidin-1-yl]-2-sulfanylpropan-1-one
CID 107024099
2-cycloheptyloxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119541479
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540418
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
CID 144853305

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone (CID 103514154) is 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone is CNCC1CCN(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is UMBXIRNMMACQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-11-4-6-2-3-12(5-6)8(13)7(9)10/h6-7,11H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 192.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 103514154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).