2,2-dichloro-4-fluoro-1,3-dioxolane

C3H3Cl2FO2 — CID 154217864

IUPAC2,2-dichloro-4-fluoro-1,3-dioxolane
SMILESFC1COC(Cl)(Cl)O1
InChIInChI=1S/C3H3Cl2FO2/c4-3(5)7-1-2(6)8-3/h2H,1H2
InChIKeyIHSQIDHBAIVIFB-UHFFFAOYSA-N
MW160.96 g/mol
LogP1.42
Rot. Bonds

About 2,2-dichloro-4-fluoro-1,3-dioxolane

2,2-dichloro-4-fluoro-1,3-dioxolane (PubChem CID 154217864) has the molecular formula C3H3Cl2FO2 and a molecular weight of 160.96 g/mol. Its IUPAC name is 2,2-dichloro-4-fluoro-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dichloro-4-fluoro-1,3-dioxolane
PubChem CID154217864
Molecular FormulaC3H3Cl2FO2
Molecular Weight160.96 g/mol
Exact Mass159.95
IUPAC Name2,2-dichloro-4-fluoro-1,3-dioxolane
SMILESFC1COC(Cl)(Cl)O1
InChIInChI=1S/C3H3Cl2FO2/c4-3(5)7-1-2(6)8-3/h2H,1H2
InChIKeyIHSQIDHBAIVIFB-UHFFFAOYSA-N
XLogP1.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.96
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,5-trifluoro-1,3-dioxane
CID 154222537
2,2,4,5-tetrachloro-1,3-dioxolane
CID 19099810
2-fluoro-4-methyloxolane
CID 57195800
4-fluoro-2,2-bis(trifluoromethyl)oxetane
CID 14144890
2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxolane
CID 19812557
2-(oxiran-2-yloxy)oxiran-2-ol
CID 88661518
4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 15008333
2-chloro-2-methyloxirane
CID 15120421
2,2-bis[chloro(difluoro)methyl]-4-(chloromethyl)-1,3-dioxolane
CID 154101123
2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
CID 175908064
2,2,3,3,5-pentaethoxy-1,4-dioxane
CID 150418593
2,2,3,3-tetrachlorooxolane;tungsten
CID 159363671

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-4-fluoro-1,3-dioxolane?
The IUPAC name of 2,2-dichloro-4-fluoro-1,3-dioxolane (CID 154217864) is 2,2-dichloro-4-fluoro-1,3-dioxolane.
What is the SMILES notation for 2,2-dichloro-4-fluoro-1,3-dioxolane?
The canonical SMILES for 2,2-dichloro-4-fluoro-1,3-dioxolane is FC1COC(Cl)(Cl)O1.
What is the InChIKey of 2,2-dichloro-4-fluoro-1,3-dioxolane?
The InChIKey is IHSQIDHBAIVIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2FO2/c4-3(5)7-1-2(6)8-3/h2H,1H2.
What are the key properties of 2,2-dichloro-4-fluoro-1,3-dioxolane?
2,2-dichloro-4-fluoro-1,3-dioxolane has a molecular weight of 160.96 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-4-fluoro-1,3-dioxolane is sourced from PubChem (CID 154217864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).