N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C12H20F3NO2 — CID 103777802

IUPACN-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(CC(F)(F)F)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO2/c1-9(8-12(13,14)15)16-10-2-4-11(5-3-10)17-6-7-18-11/h9-10,16H,2-8H2,1H3
InChIKeyUQTJJMPHBAGVOE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 103777802) 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)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID103777802
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(CC(F)(F)F)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO2/c1-9(8-12(13,14)15)16-10-2-4-11(5-3-10)17-6-7-18-11/h9-10,16H,2-8H2,1H3
InChIKeyUQTJJMPHBAGVOE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1,4-dioxaspiro(4.5)decan-8-amine
CID 16786570
(7R,9R)-9-propyl-7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 12170417
N-cyclohexyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 28424027
(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
CID 86793868
carbanide;N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroacetamide;osmium(2+)
CID 162589924
N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 24710506
N-[4-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43730431
N-[2-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43730708
N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43747449
8-N-methyl-7-N-propyl-7-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61751956
8-N-methyl-7-N-propan-2-yl-7-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61752933
N-ethyl-7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61755092

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 103777802) is N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CC(CC(F)(F)F)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UQTJJMPHBAGVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-9(8-12(13,14)15)16-10-2-4-11(5-3-10)17-6-7-18-11/h9-10,16H,2-8H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 267.29 g/mol, XLogP of 2.60, 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)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 103777802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).