1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone

C8H13F2NO — CID 89682396

IUPAC1-(1-ethyl-4,4-difluoropyrrolidin-2-yl)ethanone
SMILESCCN1CC(CC1C(=O)C)(F)F
InChIInChI=1S/C8H13F2NO/c1-3-11-5-8(9,10)4-7(11)6(2)12/h7H,3-5H2,1-2H3
InChIKeyKLXWKFZZVNNZGW-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.20
Rot. Bonds2

About 1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone

1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone (PubChem CID 89682396) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(1-ethyl-4,4-difluoropyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone
PubChem CID89682396
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(1-ethyl-4,4-difluoropyrrolidin-2-yl)ethanone
SMILESCCN1CC(CC1C(=O)C)(F)F
InChIInChI=1S/C8H13F2NO/c1-3-11-5-8(9,10)4-7(11)6(2)12/h7H,3-5H2,1-2H3
InChIKeyKLXWKFZZVNNZGW-UHFFFAOYSA-N
XLogP1.20
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity193

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methylpyrrolidin-2-yl)ethanone
CID 22942527
1-[(2S)-1-methylpyrrolidin-2-yl]ethanone
CID 54471019
1-(1-Acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
1-(4,4-Difluoropyrrolidin-2-yl)ethanone
CID 21016049
1-(2-Acetylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 22973135
1-(4-Fluoro-1-methylpyrrolidin-2-yl)ethanone
CID 57687005
1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethanone
CID 58605233
1-[(2S)-1-acetyl-4,4-difluoropyrrolidin-2-yl]ethanone
CID 58606335
1-[(2S)-4,4-difluoro-1,3,3-trimethylpyrrolidin-2-yl]ethanone
CID 58805275
1-[4-(Difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone
CID 58938947
1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 59041040
1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone
CID 59215643

Frequently Asked Questions

What is the IUPAC name of 1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone (CID 89682396) is 1-(1-ethyl-4,4-difluoropyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone is CCN1CC(CC1C(=O)C)(F)F.
What is the InChIKey of 1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone?
The InChIKey is KLXWKFZZVNNZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-3-11-5-8(9,10)4-7(11)6(2)12/h7H,3-5H2,1-2H3.
What are the key properties of 1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone?
1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone has a molecular weight of 177.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone is sourced from PubChem (CID 89682396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).