1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]

C16H24F2O3 — CID 58108119

IUPAC1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
SMILESCC(F)(F)COCC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C16H24F2O3/c1-14(17,18)9-19-10-15-6-11-4-12(7-15)16(13(5-11)8-15)20-2-3-21-16/h11-13H,2-10H2,1H3
InChIKeyNBWFGPXGAPFEOP-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.23
Rot. Bonds4

About 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]

1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] (PubChem CID 58108119) has the molecular formula C16H24F2O3 and a molecular weight of 302.36 g/mol. Its IUPAC name is 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane].

Molecular Properties

Compound Name1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
PubChem CID58108119
Molecular FormulaC16H24F2O3
Molecular Weight302.36 g/mol
Exact Mass302.17
IUPAC Name1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
SMILESCC(F)(F)COCC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C16H24F2O3/c1-14(17,18)9-19-10-15-6-11-4-12(7-15)16(13(5-11)8-15)20-2-3-21-16/h11-13H,2-10H2,1H3
InChIKeyNBWFGPXGAPFEOP-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]?
The IUPAC name of 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] (CID 58108119) is 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane].
What is the SMILES notation for 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]?
The canonical SMILES for 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] is CC(F)(F)COCC12CC3CC(C1)C1(OCCO1)C(C3)C2.
What is the InChIKey of 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]?
The InChIKey is NBWFGPXGAPFEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O3/c1-14(17,18)9-19-10-15-6-11-4-12(7-15)16(13(5-11)8-15)20-2-3-21-16/h11-13H,2-10H2,1H3.
What are the key properties of 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]?
1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] has a molecular weight of 302.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] is sourced from PubChem (CID 58108119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).