4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one

C9H11FO4 — CID 138668561

IUPAC4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one
SMILESCCCC1(OCC#CF)COC(=O)O1
InChIInChI=1S/C9H11FO4/c1-2-4-9(13-6-3-5-10)7-12-8(11)14-9/h2,4,6-7H2,1H3
InChIKeyYFNDVJNVBLVQDV-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.60
Rot. Bonds4

About 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one

4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one (PubChem CID 138668561) has the molecular formula C9H11FO4 and a molecular weight of 202.18 g/mol. Its IUPAC name is 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one
PubChem CID138668561
Molecular FormulaC9H11FO4
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one
SMILESCCCC1(OCC#CF)COC(=O)O1
InChIInChI=1S/C9H11FO4/c1-2-4-9(13-6-3-5-10)7-12-8(11)14-9/h2,4,6-7H2,1H3
InChIKeyYFNDVJNVBLVQDV-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one?
The IUPAC name of 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one (CID 138668561) is 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one is CCCC1(OCC#CF)COC(=O)O1.
What is the InChIKey of 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one?
The InChIKey is YFNDVJNVBLVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4/c1-2-4-9(13-6-3-5-10)7-12-8(11)14-9/h2,4,6-7H2,1H3.
What are the key properties of 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one?
4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one has a molecular weight of 202.18 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroprop-2-ynoxy)-4-propyl-1,3-dioxolan-2-one is sourced from PubChem (CID 138668561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).