4-(1-fluoropropyl)-1,3-dioxolan-2-one

C6H9FO3 — CID 18413645

IUPAC4-(1-fluoropropyl)-1,3-dioxolan-2-one
SMILESCCC(F)C1COC(=O)O1
InChIInChI=1S/C6H9FO3/c1-2-4(7)5-3-9-6(8)10-5/h4-5H,2-3H2,1H3
InChIKeyHYURLIHUMBTQAW-UHFFFAOYSA-N
MW148.13 g/mol
LogP1.27
Rot. Bonds2

About 4-(1-fluoropropyl)-1,3-dioxolan-2-one

4-(1-fluoropropyl)-1,3-dioxolan-2-one (PubChem CID 18413645) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 4-(1-fluoropropyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1-fluoropropyl)-1,3-dioxolan-2-one
PubChem CID18413645
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name4-(1-fluoropropyl)-1,3-dioxolan-2-one
SMILESCCC(F)C1COC(=O)O1
InChIInChI=1S/C6H9FO3/c1-2-4(7)5-3-9-6(8)10-5/h4-5H,2-3H2,1H3
InChIKeyHYURLIHUMBTQAW-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butylene carbonate
CID 107282
CID 7015599
CID 7015599
2,2-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
4-Butyl-1,3-dioxolan-2-one
CID 14475587
(4R)-4-ethyl-1,3-dioxolan-2-one
CID 7168186
4-Propyl-1,3-dioxolan-2-one
CID 13751606
4-(2,2,3,3,3-Pentafluoropropyl)-1,3-dioxolane-2-one
CID 14008832
4-Fluoro-5-methyl-1,3-dioxolan-2-one
CID 17876708
4-(1-Fluoroethyl)-1,3-dioxolan-2-one
CID 18413646
4-(1-Fluorobutyl)-1,3-dioxolan-2-one
CID 18413651
4-(Fluoromethyl)-5-methyl-1,3-dioxolan-2-one
CID 18413661
2,2,4-Trifluoro-4-propyl-1,3-dioxolane
CID 18737949

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoropropyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1-fluoropropyl)-1,3-dioxolan-2-one (CID 18413645) is 4-(1-fluoropropyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1-fluoropropyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1-fluoropropyl)-1,3-dioxolan-2-one is CCC(F)C1COC(=O)O1.
What is the InChIKey of 4-(1-fluoropropyl)-1,3-dioxolan-2-one?
The InChIKey is HYURLIHUMBTQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c1-2-4(7)5-3-9-6(8)10-5/h4-5H,2-3H2,1H3.
What are the key properties of 4-(1-fluoropropyl)-1,3-dioxolan-2-one?
4-(1-fluoropropyl)-1,3-dioxolan-2-one has a molecular weight of 148.13 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoropropyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 18413645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).