2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol

C7H8Cl2F4O3 — CID 21395830

IUPAC2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol
SMILESOCCC1COC(C(F)(F)Cl)(C(F)(F)Cl)O1
InChIInChI=1S/C7H8Cl2F4O3/c8-6(10,11)5(7(9,12)13)15-3-4(16-5)1-2-14/h4,14H,1-3H2
InChIKeyQRZCHOOSKIWVLO-UHFFFAOYSA-N
MW287.04 g/mol
LogP2.14
Rot. Bonds4

About 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol

2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol (PubChem CID 21395830) has the molecular formula C7H8Cl2F4O3 and a molecular weight of 287.04 g/mol. Its IUPAC name is 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol
PubChem CID21395830
Molecular FormulaC7H8Cl2F4O3
Molecular Weight287.04 g/mol
Exact Mass285.98
IUPAC Name2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol
SMILESOCCC1COC(C(F)(F)Cl)(C(F)(F)Cl)O1
InChIInChI=1S/C7H8Cl2F4O3/c8-6(10,11)5(7(9,12)13)15-3-4(16-5)1-2-14/h4,14H,1-3H2
InChIKeyQRZCHOOSKIWVLO-UHFFFAOYSA-N
XLogP2.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol (CID 21395830) is 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol is OCCC1COC(C(F)(F)Cl)(C(F)(F)Cl)O1.
What is the InChIKey of 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol?
The InChIKey is QRZCHOOSKIWVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2F4O3/c8-6(10,11)5(7(9,12)13)15-3-4(16-5)1-2-14/h4,14H,1-3H2.
What are the key properties of 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol?
2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol has a molecular weight of 287.04 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 21395830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).