3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate

C7H9FO5 — CID 134599637

IUPAC3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OCCCF)O1
InChIInChI=1S/C7H9FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5H,1-4H2
InChIKeyBPVWMEONIQQVBK-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.42
Rot. Bonds4

About 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate

3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599637) has the molecular formula C7H9FO5 and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599637
Molecular FormulaC7H9FO5
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OCCCF)O1
InChIInChI=1S/C7H9FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5H,1-4H2
InChIKeyBPVWMEONIQQVBK-UHFFFAOYSA-N
XLogP0.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599637) is 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate is O=C1OCC(C(=O)OCCCF)O1.
What is the InChIKey of 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is BPVWMEONIQQVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5H,1-4H2.
What are the key properties of 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate?
3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 192.14 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).