1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C12H17F6NO2 — CID 103312176

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CCOC2(CCOC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO2/c13-11(14,15)9(12(16,17)18)8(19)7-1-3-21-10(5-7)2-4-20-6-10/h7-9H,1-6,19H2
InChIKeyAKDCNAZGDHPXLV-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.64
Rot. Bonds2

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312176) has the molecular formula C12H17F6NO2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103312176
Molecular FormulaC12H17F6NO2
Molecular Weight321.26 g/mol
Exact Mass321.12
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CCOC2(CCOC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO2/c13-11(14,15)9(12(16,17)18)8(19)7-1-3-21-10(5-7)2-4-20-6-10/h7-9H,1-6,19H2
InChIKeyAKDCNAZGDHPXLV-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine with MolForge

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79914459
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
CID 79914929
3,3,3-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915034
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 79915155
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 79915271
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79915391
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
CID 79953297
4,4,4-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79953439
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4,4,4-trifluorobutan-1-amine
CID 79954615
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79954781
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79959287

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103312176) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is NC(C1CCOC2(CCOC2)C1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is AKDCNAZGDHPXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO2/c13-11(14,15)9(12(16,17)18)8(19)7-1-3-21-10(5-7)2-4-20-6-10/h7-9H,1-6,19H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 321.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).