N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine

C11H21F2NO2 — CID 103080937

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine
SMILESCC1CC(NCCOCC(F)F)CC(C)O1
InChIInChI=1S/C11H21F2NO2/c1-8-5-10(6-9(2)16-8)14-3-4-15-7-11(12)13/h8-11,14H,3-7H2,1-2H3
InChIKeyFPUSCZAJNMCVJS-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.81
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine

N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine (PubChem CID 103080937) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine
PubChem CID103080937
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine
SMILESCC1CC(NCCOCC(F)F)CC(C)O1
InChIInChI=1S/C11H21F2NO2/c1-8-5-10(6-9(2)16-8)14-3-4-15-7-11(12)13/h8-11,14H,3-7H2,1-2H3
InChIKeyFPUSCZAJNMCVJS-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,5R,6R)-5-fluoro-6-methyloxan-2-yl]-N-methylmethanamine
CID 60076853
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
(2R)-N-methyl-2-(trifluoromethyl)oxan-4-amine
CID 166854554
2-Ethyl-3-fluoro-5-methoxypiperidine
CID 167076426
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
CID 169190965
2-fluoro-2-methyl-N-propan-2-yloxan-4-amine
CID 169874641
1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine
CID 171531417
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
2-(Ethoxymethyl)-5,5-difluoropiperidine
CID 176568566
(Oxan-2-ylmethyl)(propan-2-yl)amine
CID 239652
2,2,2-trifluoro-N-(oxan-2-ylmethyl)ethanamine
CID 43403679

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine (CID 103080937) is N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine is CC1CC(NCCOCC(F)F)CC(C)O1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine?
The InChIKey is FPUSCZAJNMCVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-8-5-10(6-9(2)16-8)14-3-4-15-7-11(12)13/h8-11,14H,3-7H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine has a molecular weight of 237.29 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 103080937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).