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

C11H20F3NO2 — CID 65352441

IUPAC1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1COCCO1
InChIInChI=1S/C11H20F3NO2/c1-2-5-15-9(3-4-11(12,13)14)10-8-16-6-7-17-10/h9-10,15H,2-8H2,1H3
InChIKeyZVKGUFIOOFKDRO-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds6

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

1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 65352441) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID65352441
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1COCCO1
InChIInChI=1S/C11H20F3NO2/c1-2-5-15-9(3-4-11(12,13)14)10-8-16-6-7-17-10/h9-10,15H,2-8H2,1H3
InChIKeyZVKGUFIOOFKDRO-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
CID 167191633
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CID 175482465
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
(2S)-2-[(1R)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine
CID 176863451
(2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine
CID 176863690
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
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 61490838
N-(oxan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61609441
4,4,4-Trifluoro-3-(oxan-2-ylmethoxy)butan-2-amine
CID 61647834
1,1,1-Trifluoro-2-(oxan-2-ylmethoxy)pentan-3-amine
CID 61647835
N-propyl-3-(2,2,2-trifluoroethoxy)oxan-4-amine
CID 61754494

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 65352441) is 1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is ZVKGUFIOOFKDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-5-15-9(3-4-11(12,13)14)10-8-16-6-7-17-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 6 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)-4,4,4-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 65352441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).