1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one

C11H17F2NO2 — CID 143195839

IUPAC1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1C[C@H](C(C)(F)F)CC1C(C)=O
InChIInChI=1S/C11H17F2NO2/c1-4-10(16)14-6-8(11(3,12)13)5-9(14)7(2)15/h8-9H,4-6H2,1-3H3/t8-,9?/m1/s1
InChIKeyWAJVHYPKLKHSPZ-VEDVMXKPSA-N
MW233.26 g/mol
LogP1.86
Rot. Bonds3

About 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one

1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 143195839) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID143195839
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1C[C@H](C(C)(F)F)CC1C(C)=O
InChIInChI=1S/C11H17F2NO2/c1-4-10(16)14-6-8(11(3,12)13)5-9(14)7(2)15/h8-9H,4-6H2,1-3H3/t8-,9?/m1/s1
InChIKeyWAJVHYPKLKHSPZ-VEDVMXKPSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one (CID 143195839) is 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1C[C@H](C(C)(F)F)CC1C(C)=O.
What is the InChIKey of 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is WAJVHYPKLKHSPZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-4-10(16)14-6-8(11(3,12)13)5-9(14)7(2)15/h8-9H,4-6H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one?
1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 233.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 143195839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).