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

C5H6ClF3O2 — CID 19767953

IUPAC2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(CCl)OCCO1
InChIInChI=1S/C5H6ClF3O2/c6-3-4(5(7,8)9)10-1-2-11-4/h1-3H2
InChIKeyJLBVDPZLAMDBRC-UHFFFAOYSA-N
MW190.55 g/mol
LogP1.53
Rot. Bonds1

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

2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 19767953) has the molecular formula C5H6ClF3O2 and a molecular weight of 190.55 g/mol. Its IUPAC name is 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID19767953
Molecular FormulaC5H6ClF3O2
Molecular Weight190.55 g/mol
Exact Mass190.00
IUPAC Name2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(CCl)OCCO1
InChIInChI=1S/C5H6ClF3O2/c6-3-4(5(7,8)9)10-1-2-11-4/h1-3H2
InChIKeyJLBVDPZLAMDBRC-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.55
LogP ≤ 51.53
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 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 19767953) is 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(CCl)OCCO1.
What is the InChIKey of 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is JLBVDPZLAMDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF3O2/c6-3-4(5(7,8)9)10-1-2-11-4/h1-3H2.
What are the key properties of 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane?
2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 190.55 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 19767953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).