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

C10H14F2O2 — CID 167120551

IUPAC5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]
SMILESFC1(F)CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C10H14F2O2/c11-9(12)3-7-5-10(6-8(7)4-9)13-1-2-14-10/h7-8H,1-6H2
InChIKeyKTYRPBGCONEOLS-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.18
Rot. Bonds

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

5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane] (PubChem CID 167120551) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane].

Molecular Properties

Compound Name5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]
PubChem CID167120551
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]
SMILESFC1(F)CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C10H14F2O2/c11-9(12)3-7-5-10(6-8(7)4-9)13-1-2-14-10/h7-8H,1-6H2
InChIKeyKTYRPBGCONEOLS-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 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]?
The IUPAC name of 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane] (CID 167120551) is 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane].
What is the SMILES notation for 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]?
The canonical SMILES for 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane] is FC1(F)CC2CC3(CC2C1)OCCO3.
What is the InChIKey of 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]?
The InChIKey is KTYRPBGCONEOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c11-9(12)3-7-5-10(6-8(7)4-9)13-1-2-14-10/h7-8H,1-6H2.
What are the key properties of 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]?
5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-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 5,5-difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane] is sourced from PubChem (CID 167120551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).