1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone

C9H16FNO — CID 126758843

IUPAC1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCCF)C1
InChIInChI=1S/C9H16FNO/c1-8(12)11-6-4-9(7-11)3-2-5-10/h9H,2-7H2,1H3
InChIKeyVAOYYGCHVOTVQE-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.60
Rot. Bonds3

About 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone

1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone (PubChem CID 126758843) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone
PubChem CID126758843
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCCF)C1
InChIInChI=1S/C9H16FNO/c1-8(12)11-6-4-9(7-11)3-2-5-10/h9H,2-7H2,1H3
InChIKeyVAOYYGCHVOTVQE-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone (CID 126758843) is 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(CCCF)C1.
What is the InChIKey of 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VAOYYGCHVOTVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(12)11-6-4-9(7-11)3-2-5-10/h9H,2-7H2,1H3.
What are the key properties of 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone?
1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone has a molecular weight of 173.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoropropyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126758843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).