2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane

C7H13FO2 — CID 45090424

IUPAC2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(F)OC1(C)C
InChIInChI=1S/C7H13FO2/c1-6(2)7(3,4)10-5(8)9-6/h5H,1-4H3
InChIKeyKGMSRBTXBGMJGP-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.84
Rot. Bonds

About 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane

2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane (PubChem CID 45090424) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane
PubChem CID45090424
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(F)OC1(C)C
InChIInChI=1S/C7H13FO2/c1-6(2)7(3,4)10-5(8)9-6/h5H,1-4H3
InChIKeyKGMSRBTXBGMJGP-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane?
The IUPAC name of 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane (CID 45090424) is 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane?
The canonical SMILES for 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane is CC1(C)OC(F)OC1(C)C.
What is the InChIKey of 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane?
The InChIKey is KGMSRBTXBGMJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-6(2)7(3,4)10-5(8)9-6/h5H,1-4H3.
What are the key properties of 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane?
2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane has a molecular weight of 148.18 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 45090424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).