2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole

C9H10F2O2 — CID 162547589

IUPAC2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole
SMILESCC1C=CC2=C(CC1)OC(F)(F)O2
InChIInChI=1S/C9H10F2O2/c1-6-2-4-7-8(5-3-6)13-9(10,11)12-7/h2,4,6H,3,5H2,1H3
InChIKeyOCPRLRIXBCKFIB-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.78
Rot. Bonds

About 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole

2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole (PubChem CID 162547589) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole
PubChem CID162547589
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole
SMILESCC1C=CC2=C(CC1)OC(F)(F)O2
InChIInChI=1S/C9H10F2O2/c1-6-2-4-7-8(5-3-6)13-9(10,11)12-7/h2,4,6H,3,5H2,1H3
InChIKeyOCPRLRIXBCKFIB-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole?
The IUPAC name of 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole (CID 162547589) is 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole.
What is the SMILES notation for 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole?
The canonical SMILES for 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole is CC1C=CC2=C(CC1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole?
The InChIKey is OCPRLRIXBCKFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-6-2-4-7-8(5-3-6)13-9(10,11)12-7/h2,4,6H,3,5H2,1H3.
What are the key properties of 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole?
2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole has a molecular weight of 188.17 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole is sourced from PubChem (CID 162547589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).