6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]

C10H14F2O2 — CID 156694085

IUPAC6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]
SMILESFC1(F)CCC2C1CCC21OCCO1
InChIInChI=1S/C10H14F2O2/c11-9(12)3-1-8-7(9)2-4-10(8)13-5-6-14-10/h7-8H,1-6H2
InChIKeyOKSUAWLAVGLOHW-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.18
Rot. Bonds

About 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]

6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane] (PubChem CID 156694085) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]
PubChem CID156694085
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]
SMILESFC1(F)CCC2C1CCC21OCCO1
InChIInChI=1S/C10H14F2O2/c11-9(12)3-1-8-7(9)2-4-10(8)13-5-6-14-10/h7-8H,1-6H2
InChIKeyOKSUAWLAVGLOHW-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]?
The IUPAC name of 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane] (CID 156694085) is 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane].
What is the SMILES notation for 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]?
The canonical SMILES for 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane] is FC1(F)CCC2C1CCC21OCCO1.
What is the InChIKey of 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]?
The InChIKey is OKSUAWLAVGLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c11-9(12)3-1-8-7(9)2-4-10(8)13-5-6-14-10/h7-8H,1-6H2.
What are the key properties of 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]?
6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane] has a molecular weight of 204.22 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 156694085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).