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

C7H11FO3 — CID 18413651

IUPAC4-(1-fluorobutyl)-1,3-dioxolan-2-one
SMILESCCCC(F)C1COC(=O)O1
InChIInChI=1S/C7H11FO3/c1-2-3-5(8)6-4-10-7(9)11-6/h5-6H,2-4H2,1H3
InChIKeyFGAQKEDEPJOPJM-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.66
Rot. Bonds3

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

4-(1-fluorobutyl)-1,3-dioxolan-2-one (PubChem CID 18413651) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-(1-fluorobutyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1-fluorobutyl)-1,3-dioxolan-2-one
PubChem CID18413651
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name4-(1-fluorobutyl)-1,3-dioxolan-2-one
SMILESCCCC(F)C1COC(=O)O1
InChIInChI=1S/C7H11FO3/c1-2-3-5(8)6-4-10-7(9)11-6/h5-6H,2-4H2,1H3
InChIKeyFGAQKEDEPJOPJM-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Butyldioxolane
CID 126446
4-Butyl-1,3-dioxolan-2-one
CID 14475587
4-Propyl-1,3-dioxolan-2-one
CID 13751606
4-(1-Fluoropropyl)-1,3-dioxolan-2-one
CID 18413645
4-(1-Fluoroethyl)-1,3-dioxolan-2-one
CID 18413646
4-Ethyl-5-fluoro-1,3-dioxolan-2-one
CID 59128179
4-Fluoro-4-propyl-1,3-dioxolan-2-one
CID 66797468
4,5-Diethyl-4-fluoro-1,3-dioxolan-2-one
CID 67207946
4-(3-Fluoropropyl)-1,3-dioxolan-2-one
CID 91000789
4-Butyl-4,5,5-trifluoro-1,3-dioxolan-2-one
CID 118035923
4-(2-Fluoro-2-methylpropyl)-1,3-dioxolan-2-one
CID 118189700
2,2,3,3,4,4,5,5-Octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate
CID 122607496

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluorobutyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1-fluorobutyl)-1,3-dioxolan-2-one (CID 18413651) is 4-(1-fluorobutyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1-fluorobutyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1-fluorobutyl)-1,3-dioxolan-2-one is CCCC(F)C1COC(=O)O1.
What is the InChIKey of 4-(1-fluorobutyl)-1,3-dioxolan-2-one?
The InChIKey is FGAQKEDEPJOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-2-3-5(8)6-4-10-7(9)11-6/h5-6H,2-4H2,1H3.
What are the key properties of 4-(1-fluorobutyl)-1,3-dioxolan-2-one?
4-(1-fluorobutyl)-1,3-dioxolan-2-one has a molecular weight of 162.16 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorobutyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 18413651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).