1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone

C8H13F2NO — CID 143706643

IUPAC1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CCN(CC(F)F)C1
InChIInChI=1S/C8H13F2NO/c1-6(12)7-2-3-11(4-7)5-8(9)10/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyRVWKTDSSMJUBFK-SSDOTTSWSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds3

About 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone

1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone (PubChem CID 143706643) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone
PubChem CID143706643
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CCN(CC(F)F)C1
InChIInChI=1S/C8H13F2NO/c1-6(12)7-2-3-11(4-7)5-8(9)10/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyRVWKTDSSMJUBFK-SSDOTTSWSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone (CID 143706643) is 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone is CC(=O)[C@@H]1CCN(CC(F)F)C1.
What is the InChIKey of 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone?
The InChIKey is RVWKTDSSMJUBFK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-6(12)7-2-3-11(4-7)5-8(9)10/h7-8H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone?
1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone has a molecular weight of 177.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 143706643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).