2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane

C5H8F2O3 — CID 119096835

IUPAC2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane
SMILESCOCC1COC(F)(F)O1
InChIInChI=1S/C5H8F2O3/c1-8-2-4-3-9-5(6,7)10-4/h4H,2-3H2,1H3
InChIKeyRUKCWPASFVLALO-UHFFFAOYSA-N
MW154.11 g/mol
LogP0.60
Rot. Bonds2

About 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane

2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane (PubChem CID 119096835) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane
PubChem CID119096835
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane
SMILESCOCC1COC(F)(F)O1
InChIInChI=1S/C5H8F2O3/c1-8-2-4-3-9-5(6,7)10-4/h4H,2-3H2,1H3
InChIKeyRUKCWPASFVLALO-UHFFFAOYSA-N
XLogP0.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
2,2-Dimethoxy-4-(trifluoromethyl)-1,3-dioxolane
CID 168719911
(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-Dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane
CID 10893921
(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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane (CID 119096835) is 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane is COCC1COC(F)(F)O1.
What is the InChIKey of 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane?
The InChIKey is RUKCWPASFVLALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-8-2-4-3-9-5(6,7)10-4/h4H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane?
2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane has a molecular weight of 154.11 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(methoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 119096835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).