2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane

C6H9F3O4 — CID 168719911

IUPAC2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane
SMILESCOC1(OC)OCC(C(F)(F)F)O1
InChIInChI=1S/C6H9F3O4/c1-10-6(11-2)12-3-4(13-6)5(7,8)9/h4H,3H2,1-2H3
InChIKeyNDBANWNKTSVTKB-UHFFFAOYSA-N
MW202.13 g/mol
LogP0.87
Rot. Bonds2

About 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane

2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane (PubChem CID 168719911) has the molecular formula C6H9F3O4 and a molecular weight of 202.13 g/mol. Its IUPAC name is 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane
PubChem CID168719911
Molecular FormulaC6H9F3O4
Molecular Weight202.13 g/mol
Exact Mass202.05
IUPAC Name2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane
SMILESCOC1(OC)OCC(C(F)(F)F)O1
InChIInChI=1S/C6H9F3O4/c1-10-6(11-2)12-3-4(13-6)5(7,8)9/h4H,3H2,1-2H3
InChIKeyNDBANWNKTSVTKB-UHFFFAOYSA-N
XLogP0.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-Difluoro-4,5-dimethyl-1,3-dioxolane
CID 18923912
2,2-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 23236997
(S)-4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 90478036
(4R)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 10953703
(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 7021497
2,2-Difluoro-4-(methoxymethyl)-1,3-dioxolane
CID 119096835
(4S)-4-[(1R)-1,2-difluoroethyl]-2,2-dimethyl-1,3-dioxolane
CID 178342653
2,2-Dimethyl-4-(2,2,2-trifluoro-1-methoxyethyl)-1,3-dioxolane
CID 73826838
4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 5195380
2,2-Difluoro-4-methyl-1,3-dioxolane
CID 11040697
2-Methoxy-2-(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane
CID 14401455

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane (CID 168719911) is 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane is COC1(OC)OCC(C(F)(F)F)O1.
What is the InChIKey of 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is NDBANWNKTSVTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O4/c1-10-6(11-2)12-3-4(13-6)5(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane?
2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 202.13 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-4-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 168719911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).