1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone

C7H12FNO2 — CID 143542188

IUPAC1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone
SMILESCO[C@@H]1CN(C(C)=O)CC1F
InChIInChI=1S/C7H12FNO2/c1-5(10)9-3-6(8)7(4-9)11-2/h6-7H,3-4H2,1-2H3/t6?,7-/m1/s1
InChIKeyXOXGTUYKLWMLLJ-COBSHVIPSA-N
MW161.18 g/mol
LogP0.20
Rot. Bonds1

About 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone

1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone (PubChem CID 143542188) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone
PubChem CID143542188
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone
SMILESCO[C@@H]1CN(C(C)=O)CC1F
InChIInChI=1S/C7H12FNO2/c1-5(10)9-3-6(8)7(4-9)11-2/h6-7H,3-4H2,1-2H3/t6?,7-/m1/s1
InChIKeyXOXGTUYKLWMLLJ-COBSHVIPSA-N
XLogP0.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone (CID 143542188) is 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone is CO[C@@H]1CN(C(C)=O)CC1F.
What is the InChIKey of 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone?
The InChIKey is XOXGTUYKLWMLLJ-COBSHVIPSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5(10)9-3-6(8)7(4-9)11-2/h6-7H,3-4H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone?
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone has a molecular weight of 161.18 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143542188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).