1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine

C12H22F3NO2 — CID 113327068

IUPAC1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1COCCO1
InChIInChI=1S/C12H22F3NO2/c1-2-6-16-10(4-3-5-12(13,14)15)11-9-17-7-8-18-11/h10-11,16H,2-9H2,1H3
InChIKeyGZOPBZPUCIPWIC-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.50
Rot. Bonds7

About 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 113327068) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID113327068
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1COCCO1
InChIInChI=1S/C12H22F3NO2/c1-2-6-16-10(4-3-5-12(13,14)15)11-9-17-7-8-18-11/h10-11,16H,2-9H2,1H3
InChIKeyGZOPBZPUCIPWIC-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
Methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium
CID 155624937
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54941853
2-Methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine
CID 55030936
2-[2-[2-(2,2,2-Trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55065393
N-(oxan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61609441
N-propyl-3-(2,2,2-trifluoroethoxy)oxan-4-amine
CID 61754494
N-methyl-2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
CID 61755100
N-ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755294
N-ethyl-3-(2,2,2-trifluoroethoxy)oxan-4-amine
CID 61755895
N-ethyl-2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
CID 61755897

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 113327068) is 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is GZOPBZPUCIPWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-2-6-16-10(4-3-5-12(13,14)15)11-9-17-7-8-18-11/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 113327068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).