4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane

C12H14ClFO2 — CID 114835289

IUPAC4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane
SMILESCC1(Cc2ccccc2F)OCC(CCl)O1
InChIInChI=1S/C12H14ClFO2/c1-12(15-8-10(7-13)16-12)6-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3
InChIKeyUZODPPOZZPUPIZ-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.74
Rot. Bonds3

About 4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane

4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane (PubChem CID 114835289) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane
PubChem CID114835289
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane
SMILESCC1(Cc2ccccc2F)OCC(CCl)O1
InChIInChI=1S/C12H14ClFO2/c1-12(15-8-10(7-13)16-12)6-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3
InChIKeyUZODPPOZZPUPIZ-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.74
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-fluorophenyl)methyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane (CID 114835289) is 4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane is CC1(Cc2ccccc2F)OCC(CCl)O1.
What is the InChIKey of 4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane?
The InChIKey is UZODPPOZZPUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-12(15-8-10(7-13)16-12)6-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane?
4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane has a molecular weight of 244.69 g/mol, XLogP of 2.74, 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-fluorophenyl)methyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 114835289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).