1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone

C10H16F2N2O — CID 116991691

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)N1CCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O/c11-10(12)2-4-14(7-10)9(15)5-8-1-3-13-6-8/h8,13H,1-7H2
InChIKeyOETFDTZJZQSBPS-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds2

About 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone

1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 116991691) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
PubChem CID116991691
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)N1CCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O/c11-10(12)2-4-14(7-10)9(15)5-8-1-3-13-6-8/h8,13H,1-7H2
InChIKeyOETFDTZJZQSBPS-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 107392439
3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
CID 116991563
3-ethyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145224
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
N,3-dimethyl-1-(2-piperidin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 106318342
1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 103533035
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone
CID 106313674
2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634230
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyrrolidin-3-ylethanone
CID 81203465
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone
CID 114460026
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylethanone
CID 106835886

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone (CID 116991691) is 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone is O=C(CC1CCNC1)N1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is OETFDTZJZQSBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)2-4-14(7-10)9(15)5-8-1-3-13-6-8/h8,13H,1-7H2.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone?
1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 218.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116991691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).