N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine

C12H20F3NO2 — CID 103907295

IUPACN-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCC(CC(F)(F)F)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20F3NO2/c1-9(6-12(13,14)15)16-10-2-4-18-11(7-10)3-5-17-8-11/h9-10,16H,2-8H2,1H3
InChIKeyLAXBGIMLJCEFIB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.26
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 103907295) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID103907295
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCC(CC(F)(F)F)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20F3NO2/c1-9(6-12(13,14)15)16-10-2-4-18-11(7-10)3-5-17-8-11/h9-10,16H,2-8H2,1H3
InChIKeyLAXBGIMLJCEFIB-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 103907295) is N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine is CC(CC(F)(F)F)NC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is LAXBGIMLJCEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-9(6-12(13,14)15)16-10-2-4-18-11(7-10)3-5-17-8-11/h9-10,16H,2-8H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 267.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 103907295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).