1-(3,3-difluoropyrrolidin-1-yl)propan-2-one

C7H11F2NO — CID 58245657

IUPAC1-(3,3-difluoropyrrolidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-6(11)4-10-3-2-7(8,9)5-10/h2-5H2,1H3
InChIKeyWIGCMCDOIOVCGT-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.92
Rot. Bonds2

About 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one

1-(3,3-difluoropyrrolidin-1-yl)propan-2-one (PubChem CID 58245657) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)propan-2-one
PubChem CID58245657
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-6(11)4-10-3-2-7(8,9)5-10/h2-5H2,1H3
InChIKeyWIGCMCDOIOVCGT-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Pyrrolidinyl)-2-propanone
CID 15774823
1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one
CID 58245643
1-[(3S)-3-fluoropyrrolidin-1-yl]propan-2-one
CID 58245663
1-[Methyl(2,2,2-trifluoroethyl)amino]propan-2-one
CID 60891591
1-(3-Fluoropyrrolidin-1-yl)propan-2-one
CID 76713387
3-(Dimethylamino)-1,1,1-trifluoropropan-2-one
CID 78909280
1-(2-Fluoroethyl)pyrrolidin-3-one
CID 88454071
(3S)-3-[(3S)-3-fluoropyrrolidin-1-yl]butan-2-one
CID 89043929
(3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]butan-2-one
CID 89043930
1-(3,3-Difluoropyrrolidin-1-yl)propane-1,2-dione
CID 89694566
2-Pyrrolidin-1-ylacetyl fluoride
CID 141475302
1-[(3S)-3-fluoropyrrolidin-1-yl]butan-2-one
CID 144037706

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one (CID 58245657) is 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one is CC(=O)CN1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one?
The InChIKey is WIGCMCDOIOVCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-6(11)4-10-3-2-7(8,9)5-10/h2-5H2,1H3.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one?
1-(3,3-difluoropyrrolidin-1-yl)propan-2-one has a molecular weight of 163.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)propan-2-one is sourced from PubChem (CID 58245657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).