4-(3-fluoropropyl)-1,3-dioxolan-2-one

C6H9FO3 — CID 91000789

IUPAC4-(3-fluoropropyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CCCF)O1
InChIInChI=1S/C6H9FO3/c7-3-1-2-5-4-9-6(8)10-5/h5H,1-4H2
InChIKeyAIZTZHOPPKDECM-UHFFFAOYSA-N
MW148.13 g/mol
LogP1.27
Rot. Bonds3

About 4-(3-fluoropropyl)-1,3-dioxolan-2-one

4-(3-fluoropropyl)-1,3-dioxolan-2-one (PubChem CID 91000789) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3-fluoropropyl)-1,3-dioxolan-2-one
PubChem CID91000789
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name4-(3-fluoropropyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CCCF)O1
InChIInChI=1S/C6H9FO3/c7-3-1-2-5-4-9-6(8)10-5/h5H,1-4H2
InChIKeyAIZTZHOPPKDECM-UHFFFAOYSA-N
XLogP1.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(3-fluoropropyl)-1,3-dioxolan-2-one (CID 91000789) is 4-(3-fluoropropyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3-fluoropropyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3-fluoropropyl)-1,3-dioxolan-2-one is O=C1OCC(CCCF)O1.
What is the InChIKey of 4-(3-fluoropropyl)-1,3-dioxolan-2-one?
The InChIKey is AIZTZHOPPKDECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c7-3-1-2-5-4-9-6(8)10-5/h5H,1-4H2.
What are the key properties of 4-(3-fluoropropyl)-1,3-dioxolan-2-one?
4-(3-fluoropropyl)-1,3-dioxolan-2-one has a molecular weight of 148.13 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 91000789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).