1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine

C11H19F2NO2 — CID 103516890

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine
SMILESNC(C(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H19F2NO2/c12-10(13)9(14)8-1-4-16-11(7-8)2-5-15-6-3-11/h8-10H,1-7,14H2
InChIKeyPTZZRIIQWJVXAJ-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.55
Rot. Bonds2

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine (PubChem CID 103516890) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine
PubChem CID103516890
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine
SMILESNC(C(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H19F2NO2/c12-10(13)9(14)8-1-4-16-11(7-8)2-5-15-6-3-11/h8-10H,1-7,14H2
InChIKeyPTZZRIIQWJVXAJ-UHFFFAOYSA-N
XLogP1.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine (CID 103516890) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine is NC(C(F)F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine?
The InChIKey is PTZZRIIQWJVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c12-10(13)9(14)8-1-4-16-11(7-8)2-5-15-6-3-11/h8-10H,1-7,14H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine has a molecular weight of 235.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 103516890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).