4-(chloromethyl)-2,2-difluoro-1,3-dioxolane

C4H5ClF2O2 — CID 55298366

IUPAC4-(chloromethyl)-2,2-difluoro-1,3-dioxolane
SMILESFC1(F)OCC(CCl)O1
InChIInChI=1S/C4H5ClF2O2/c5-1-3-2-8-4(6,7)9-3/h3H,1-2H2
InChIKeyQISIMKFNHSNTAZ-UHFFFAOYSA-N
MW158.53 g/mol
LogP1.19
Rot. Bonds1

About 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane

4-(chloromethyl)-2,2-difluoro-1,3-dioxolane (PubChem CID 55298366) has the molecular formula C4H5ClF2O2 and a molecular weight of 158.53 g/mol. Its IUPAC name is 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2,2-difluoro-1,3-dioxolane
PubChem CID55298366
Molecular FormulaC4H5ClF2O2
Molecular Weight158.53 g/mol
Exact Mass157.99
IUPAC Name4-(chloromethyl)-2,2-difluoro-1,3-dioxolane
SMILESFC1(F)OCC(CCl)O1
InChIInChI=1S/C4H5ClF2O2/c5-1-3-2-8-4(6,7)9-3/h3H,1-2H2
InChIKeyQISIMKFNHSNTAZ-UHFFFAOYSA-N
XLogP1.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.53
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane (CID 55298366) is 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane is FC1(F)OCC(CCl)O1.
What is the InChIKey of 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane?
The InChIKey is QISIMKFNHSNTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF2O2/c5-1-3-2-8-4(6,7)9-3/h3H,1-2H2.
What are the key properties of 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane?
4-(chloromethyl)-2,2-difluoro-1,3-dioxolane has a molecular weight of 158.53 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,2-difluoro-1,3-dioxolane is sourced from PubChem (CID 55298366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).