3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one

C9H15F2NO — CID 142372410

IUPAC3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CCC(C(C)(F)F)C1=O
InChIInChI=1S/C9H15F2NO/c1-3-5-12-6-4-7(8(12)13)9(2,10)11/h7H,3-6H2,1-2H3
InChIKeyHKVIIEQWHOSREO-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.90
Rot. Bonds3

About 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one

3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one (PubChem CID 142372410) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one
PubChem CID142372410
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CCC(C(C)(F)F)C1=O
InChIInChI=1S/C9H15F2NO/c1-3-5-12-6-4-7(8(12)13)9(2,10)11/h7H,3-6H2,1-2H3
InChIKeyHKVIIEQWHOSREO-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
1-butyl-3-fluoropyrrolidin-2-one
CID 45088613
3-piperazin-1-yl-1-propylpyrrolidin-2-one
CID 82470862
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
5,6-ditert-butyl-1-propylazepan-2-one
CID 59996889
1-butyl-3-propan-2-ylpyrrolidin-2-one
CID 139951375
1-(4-butyl-4-methylnonyl)-3-methylpyrrolidin-2-one
CID 167256372
3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
CID 106432540
(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
CID 155363836
2-propyl-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944247
4-methyl-3-(methylamino)-1-propylazepan-2-one
CID 20589964
2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid
CID 110284130

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one (CID 142372410) is 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one is CCCN1CCC(C(C)(F)F)C1=O.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one?
The InChIKey is HKVIIEQWHOSREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-3-5-12-6-4-7(8(12)13)9(2,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one?
3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one has a molecular weight of 191.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 142372410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).