4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane

C14H22F4O5 — CID 118151294

IUPAC4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(C(OC(F)(F)C(C)(F)F)C2COC(C)(C)O2)O1
InChIInChI=1S/C14H22F4O5/c1-11(2)19-6-8(21-11)10(9-7-20-12(3,4)22-9)23-14(17,18)13(5,15)16/h8-10H,6-7H2,1-5H3
InChIKeyKRIWMEZIAAORET-UHFFFAOYSA-N
MW346.32 g/mol
LogP2.92
Rot. Bonds5

About 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 118151294) has the molecular formula C14H22F4O5 and a molecular weight of 346.32 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID118151294
Molecular FormulaC14H22F4O5
Molecular Weight346.32 g/mol
Exact Mass346.14
IUPAC Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(C(OC(F)(F)C(C)(F)F)C2COC(C)(C)O2)O1
InChIInChI=1S/C14H22F4O5/c1-11(2)19-6-8(21-11)10(9-7-20-12(3,4)22-9)23-14(17,18)13(5,15)16/h8-10H,6-7H2,1-5H3
InChIKeyKRIWMEZIAAORET-UHFFFAOYSA-N
XLogP2.92
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane (CID 118151294) is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(C(OC(F)(F)C(C)(F)F)C2COC(C)(C)O2)O1.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is KRIWMEZIAAORET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O5/c1-11(2)19-6-8(21-11)10(9-7-20-12(3,4)22-9)23-14(17,18)13(5,15)16/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 346.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 118151294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).