6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene

C8H11FO2 — CID 58971993

IUPAC6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene
SMILESCC1(C)OC2C=C(F)C(C2)O1
InChIInChI=1S/C8H11FO2/c1-8(2)10-5-3-6(9)7(4-5)11-8/h3,5,7H,4H2,1-2H3
InChIKeyDEOKKWYLDCDQHS-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.76
Rot. Bonds

About 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene

6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene (PubChem CID 58971993) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene
PubChem CID58971993
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Name6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene
SMILESCC1(C)OC2C=C(F)C(C2)O1
InChIInChI=1S/C8H11FO2/c1-8(2)10-5-3-6(9)7(4-5)11-8/h3,5,7H,4H2,1-2H3
InChIKeyDEOKKWYLDCDQHS-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene (CID 58971993) is 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene is CC1(C)OC2C=C(F)C(C2)O1.
What is the InChIKey of 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene?
The InChIKey is DEOKKWYLDCDQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2/c1-8(2)10-5-3-6(9)7(4-5)11-8/h3,5,7H,4H2,1-2H3.
What are the key properties of 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene?
6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene has a molecular weight of 158.17 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 58971993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).