4-fluoro-4-propyl-1,3-dioxolan-2-one

C6H9FO3 — CID 66797468

IUPAC4-fluoro-4-propyl-1,3-dioxolan-2-one
SMILESCCCC1(F)COC(=O)O1
InChIInChI=1S/C6H9FO3/c1-2-3-6(7)4-9-5(8)10-6/h2-4H2,1H3
InChIKeyUIVPORJZRIXWIP-UHFFFAOYSA-N
MW148.13 g/mol
LogP1.62
Rot. Bonds2

About 4-fluoro-4-propyl-1,3-dioxolan-2-one

4-fluoro-4-propyl-1,3-dioxolan-2-one (PubChem CID 66797468) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 4-fluoro-4-propyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-4-propyl-1,3-dioxolan-2-one
PubChem CID66797468
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name4-fluoro-4-propyl-1,3-dioxolan-2-one
SMILESCCCC1(F)COC(=O)O1
InChIInChI=1S/C6H9FO3/c1-2-3-6(7)4-9-5(8)10-6/h2-4H2,1H3
InChIKeyUIVPORJZRIXWIP-UHFFFAOYSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-propyl-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-4-propyl-1,3-dioxolan-2-one (CID 66797468) is 4-fluoro-4-propyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-4-propyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-4-propyl-1,3-dioxolan-2-one is CCCC1(F)COC(=O)O1.
What is the InChIKey of 4-fluoro-4-propyl-1,3-dioxolan-2-one?
The InChIKey is UIVPORJZRIXWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c1-2-3-6(7)4-9-5(8)10-6/h2-4H2,1H3.
What are the key properties of 4-fluoro-4-propyl-1,3-dioxolan-2-one?
4-fluoro-4-propyl-1,3-dioxolan-2-one has a molecular weight of 148.13 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-propyl-1,3-dioxolan-2-one is sourced from PubChem (CID 66797468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).