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

C9H13FO4 — CID 138668563

IUPAC4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one
SMILESC=C(F)COC1(CCC)COC(=O)O1
InChIInChI=1S/C9H13FO4/c1-3-4-9(13-5-7(2)10)6-12-8(11)14-9/h2-6H2,1H3
InChIKeyAARGOBZVPANCLW-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.15
Rot. Bonds5

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

4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one (PubChem CID 138668563) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one
PubChem CID138668563
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Name4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one
SMILESC=C(F)COC1(CCC)COC(=O)O1
InChIInChI=1S/C9H13FO4/c1-3-4-9(13-5-7(2)10)6-12-8(11)14-9/h2-6H2,1H3
InChIKeyAARGOBZVPANCLW-UHFFFAOYSA-N
XLogP2.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one (CID 138668563) is 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one is C=C(F)COC1(CCC)COC(=O)O1.
What is the InChIKey of 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one?
The InChIKey is AARGOBZVPANCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO4/c1-3-4-9(13-5-7(2)10)6-12-8(11)14-9/h2-6H2,1H3.
What are the key properties of 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one?
4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one has a molecular weight of 204.20 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one is sourced from PubChem (CID 138668563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).