[3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium

C7H10FO5+ — CID 147129069

IUPAC[3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium
SMILES[H]/[O+]=C(\OCCCF)C1COC(=O)O1
InChIInChI=1S/C7H9FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5H,1-4H2/p+1
InChIKeyBPVWMEONIQQVBK-UHFFFAOYSA-O
MW193.15 g/mol
LogP0.40
Rot. Bonds4

About [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium

[3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium (PubChem CID 147129069) has the molecular formula C7H10FO5+ and a molecular weight of 193.15 g/mol. Its IUPAC name is [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium.

Molecular Properties

Compound Name[3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium
PubChem CID147129069
Molecular FormulaC7H10FO5+
Molecular Weight193.15 g/mol
Exact Mass193.05
IUPAC Name[3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium
SMILES[H]/[O+]=C(\OCCCF)C1COC(=O)O1
InChIInChI=1S/C7H9FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5H,1-4H2/p+1
InChIKeyBPVWMEONIQQVBK-UHFFFAOYSA-O
XLogP0.40
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium?
The IUPAC name of [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium (CID 147129069) is [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium.
What is the SMILES notation for [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium?
The canonical SMILES for [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium is [H]/[O+]=C(\OCCCF)C1COC(=O)O1.
What is the InChIKey of [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium?
The InChIKey is BPVWMEONIQQVBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9FO5/c8-2-1-3-11-6(9)5-4-12-7(10)13-5/h5H,1-4H2/p+1.
What are the key properties of [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium?
[3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium has a molecular weight of 193.15 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium is sourced from PubChem (CID 147129069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).