4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane

C6H5ClF6O2 — CID 23262107

IUPAC4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(C(F)(F)F)OCC(CCl)O1
InChIInChI=1S/C6H5ClF6O2/c7-1-3-2-14-4(15-3,5(8,9)10)6(11,12)13/h3H,1-2H2
InChIKeyVCBXSBCCXPVZMG-UHFFFAOYSA-N
MW258.55 g/mol
LogP2.46
Rot. Bonds1

About 4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane

4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 23262107) has the molecular formula C6H5ClF6O2 and a molecular weight of 258.55 g/mol. Its IUPAC name is 4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID23262107
Molecular FormulaC6H5ClF6O2
Molecular Weight258.55 g/mol
Exact Mass257.99
IUPAC Name4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(C(F)(F)F)OCC(CCl)O1
InChIInChI=1S/C6H5ClF6O2/c7-1-3-2-14-4(15-3,5(8,9)10)6(11,12)13/h3H,1-2H2
InChIKeyVCBXSBCCXPVZMG-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.55
LogP ≤ 52.46
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-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 23262107) is 4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(C(F)(F)F)OCC(CCl)O1.
What is the InChIKey of 4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is VCBXSBCCXPVZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF6O2/c7-1-3-2-14-4(15-3,5(8,9)10)6(11,12)13/h3H,1-2H2.
What are the key properties of 4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-(chloromethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 258.55 g/mol, XLogP of 2.46, 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-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 23262107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).