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

C16H13ClF2O2 — CID 19883460

IUPAC4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2(c3ccc(F)cc3)OCC(CCl)O2)cc1
InChIInChI=1S/C16H13ClF2O2/c17-9-15-10-20-16(21-15,11-1-5-13(18)6-2-11)12-3-7-14(19)8-4-12/h1-8,15H,9-10H2
InChIKeyDMYMMJJUFRJLNS-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.82
Rot. Bonds3

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

4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane (PubChem CID 19883460) has the molecular formula C16H13ClF2O2 and a molecular weight of 310.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane
PubChem CID19883460
Molecular FormulaC16H13ClF2O2
Molecular Weight310.73 g/mol
Exact Mass310.06
IUPAC Name4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2(c3ccc(F)cc3)OCC(CCl)O2)cc1
InChIInChI=1S/C16H13ClF2O2/c17-9-15-10-20-16(21-15,11-1-5-13(18)6-2-11)12-3-7-14(19)8-4-12/h1-8,15H,9-10H2
InChIKeyDMYMMJJUFRJLNS-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.82
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(4-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane (CID 19883460) is 4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane is Fc1ccc(C2(c3ccc(F)cc3)OCC(CCl)O2)cc1.
What is the InChIKey of 4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane?
The InChIKey is DMYMMJJUFRJLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O2/c17-9-15-10-20-16(21-15,11-1-5-13(18)6-2-11)12-3-7-14(19)8-4-12/h1-8,15H,9-10H2.
What are the key properties of 4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane?
4-(chloromethyl)-2,2-bis(4-fluorophenyl)-1,3-dioxolane has a molecular weight of 310.73 g/mol, XLogP of 3.82, 3 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(4-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 19883460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).