1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]

C12H17FO2 — CID 91619929

IUPAC1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
SMILESFC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C12H17FO2/c13-11-5-8-3-9(6-11)12(10(4-8)7-11)14-1-2-15-12/h8-10H,1-7H2
InChIKeyIYOIPYOBDDTBKY-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.28
Rot. Bonds

About 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]

1'-fluorospiro[1,3-dioxolane-2,4'-adamantane] (PubChem CID 91619929) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane].

Molecular Properties

Compound Name1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
PubChem CID91619929
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
SMILESFC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C12H17FO2/c13-11-5-8-3-9(6-11)12(10(4-8)7-11)14-1-2-15-12/h8-10H,1-7H2
InChIKeyIYOIPYOBDDTBKY-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]
CID 13075074
methyl (3'S,5'S)-spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate
CID 75365645
1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
CID 58108119
spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2,2-difluoropropanoate
CID 58108095
CID 102129804
CID 102129804
(3S,5R)-1-fluoro-4-[(1R,3S)-5-fluoro-2-adamantylidene]adamantane
CID 10852063
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
2,2-difluoropropyl spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate
CID 121401572
(1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]
CID 10821727
1,1-difluoro-2-oxo-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethoxy)ethanesulfonic acid
CID 130375767
1,1-difluoro-2-oxo-2-[2,2,3,3-tetrafluoro-4-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)butoxy]ethanesulfonic acid
CID 121464149
6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]
CID 90801410

Frequently Asked Questions

What is the IUPAC name of 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]?
The IUPAC name of 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane] (CID 91619929) is 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane].
What is the SMILES notation for 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]?
The canonical SMILES for 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane] is FC12CC3CC(C1)C1(OCCO1)C(C3)C2.
What is the InChIKey of 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]?
The InChIKey is IYOIPYOBDDTBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c13-11-5-8-3-9(6-11)12(10(4-8)7-11)14-1-2-15-12/h8-10H,1-7H2.
What are the key properties of 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]?
1'-fluorospiro[1,3-dioxolane-2,4'-adamantane] has a molecular weight of 212.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-fluorospiro[1,3-dioxolane-2,4'-adamantane] is sourced from PubChem (CID 91619929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).