3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]

C18H22F2O2 — CID 22383964

IUPAC3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]
SMILESFc1cc(F)cc(C2CCC3CC4(CCC3C2)OCCO4)c1
InChIInChI=1S/C18H22F2O2/c19-16-8-15(9-17(20)10-16)12-1-2-14-11-18(21-5-6-22-18)4-3-13(14)7-12/h8-10,12-14H,1-7,11H2
InChIKeyFRNLUZSBIOVRJT-UHFFFAOYSA-N
MW308.37 g/mol
LogP4.39
Rot. Bonds1

About 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]

3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene] (PubChem CID 22383964) has the molecular formula C18H22F2O2 and a molecular weight of 308.37 g/mol. Its IUPAC name is 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene].

Molecular Properties

Compound Name3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]
PubChem CID22383964
Molecular FormulaC18H22F2O2
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]
SMILESFc1cc(F)cc(C2CCC3CC4(CCC3C2)OCCO4)c1
InChIInChI=1S/C18H22F2O2/c19-16-8-15(9-17(20)10-16)12-1-2-14-11-18(21-5-6-22-18)4-3-13(14)7-12/h8-10,12-14H,1-7,11H2
InChIKeyFRNLUZSBIOVRJT-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]?
The IUPAC name of 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene] (CID 22383964) is 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene].
What is the SMILES notation for 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]?
The canonical SMILES for 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene] is Fc1cc(F)cc(C2CCC3CC4(CCC3C2)OCCO4)c1.
What is the InChIKey of 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]?
The InChIKey is FRNLUZSBIOVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2O2/c19-16-8-15(9-17(20)10-16)12-1-2-14-11-18(21-5-6-22-18)4-3-13(14)7-12/h8-10,12-14H,1-7,11H2.
What are the key properties of 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]?
3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene] has a molecular weight of 308.37 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene] is sourced from PubChem (CID 22383964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).