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

C7H11FO5 — CID 134606592

IUPAC3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate
SMILESO=C(OCCCF)C1COC(O)O1
InChIInChI=1S/C7H11FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5,7,10H,1-4H2
InChIKeyPIDVRSPHGLIWLQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP-0.42
Rot. Bonds4

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

3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate (PubChem CID 134606592) has the molecular formula C7H11FO5 and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate
PubChem CID134606592
Molecular FormulaC7H11FO5
Molecular Weight194.16 g/mol
Exact Mass194.06
IUPAC Name3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate
SMILESO=C(OCCCF)C1COC(O)O1
InChIInChI=1S/C7H11FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5,7,10H,1-4H2
InChIKeyPIDVRSPHGLIWLQ-UHFFFAOYSA-N
XLogP-0.42
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
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-hydroxy-1,3-dioxolane-4-carboxylate?
The IUPAC name of 3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate (CID 134606592) is 3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for 3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate?
The canonical SMILES for 3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate is O=C(OCCCF)C1COC(O)O1.
What is the InChIKey of 3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate?
The InChIKey is PIDVRSPHGLIWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5,7,10H,1-4H2.
What are the key properties of 3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate?
3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate has a molecular weight of 194.16 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134606592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).