2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane

C5H4ClF5O2 — CID 88830358

IUPAC2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)C1COC(Cl)(C(F)(F)F)O1
InChIInChI=1S/C5H4ClF5O2/c6-4(5(9,10)11)12-1-2(13-4)3(7)8/h2-3H,1H2
InChIKeyYSZCIMVOWUPCCP-UHFFFAOYSA-N
MW226.53 g/mol
LogP2.12
Rot. Bonds1

About 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane

2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 88830358) has the molecular formula C5H4ClF5O2 and a molecular weight of 226.53 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID88830358
Molecular FormulaC5H4ClF5O2
Molecular Weight226.53 g/mol
Exact Mass225.98
IUPAC Name2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)C1COC(Cl)(C(F)(F)F)O1
InChIInChI=1S/C5H4ClF5O2/c6-4(5(9,10)11)12-1-2(13-4)3(7)8/h2-3H,1H2
InChIKeyYSZCIMVOWUPCCP-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.53
LogP ≤ 52.12
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-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 88830358) is 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane is FC(F)C1COC(Cl)(C(F)(F)F)O1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is YSZCIMVOWUPCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF5O2/c6-4(5(9,10)11)12-1-2(13-4)3(7)8/h2-3H,1H2.
What are the key properties of 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane?
2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 226.53 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 88830358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).