2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide

C8H14F2N2O — CID 130666924

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-2-11-7(13)5-12-4-3-8(9,10)6-12/h2-6H2,1H3,(H,11,13)
InChIKeyOCALCZJJORSNDY-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.46
Rot. Bonds3

About 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide

2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide (PubChem CID 130666924) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide
PubChem CID130666924
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-2-11-7(13)5-12-4-3-8(9,10)6-12/h2-6H2,1H3,(H,11,13)
InChIKeyOCALCZJJORSNDY-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluoropyrrolidin-1-yl)propan-2-one
CID 58245657
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
CID 106672092
N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide
CID 171701418
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657
N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126438656
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
CID 81172624
3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide
CID 130632039
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
CID 171837241

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide (CID 130666924) is 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide is CCNC(=O)CN1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide?
The InChIKey is OCALCZJJORSNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-2-11-7(13)5-12-4-3-8(9,10)6-12/h2-6H2,1H3,(H,11,13).
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide?
2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide has a molecular weight of 192.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 130666924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).