N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine

C13H25F2NO2 — CID 114191152

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine
SMILESFC(F)COCCNCCCCC1CCOCC1
InChIInChI=1S/C13H25F2NO2/c14-13(15)11-18-10-7-16-6-2-1-3-12-4-8-17-9-5-12/h12-13,16H,1-11H2
InChIKeyZEXYTHYAAPDLLU-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.45
Rot. Bonds10

About N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine (PubChem CID 114191152) has the molecular formula C13H25F2NO2 and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine
PubChem CID114191152
Molecular FormulaC13H25F2NO2
Molecular Weight265.34 g/mol
Exact Mass265.19
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine
SMILESFC(F)COCCNCCCCC1CCOCC1
InChIInChI=1S/C13H25F2NO2/c14-13(15)11-18-10-7-16-6-2-1-3-12-4-8-17-9-5-12/h12-13,16H,1-11H2
InChIKeyZEXYTHYAAPDLLU-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.45
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

N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 103083062
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 114191042
1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191056
N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
CID 103208149
3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 103208032
3-[2-(oxan-4-yl)ethylamino]propane-1-thiol
CID 115225191
N-[2-(oxolan-3-ylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62582382
1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
CID 114192090
2-methyl-1-methylsulfanyl-3-[4-(oxan-4-yl)butylamino]propan-2-ol
CID 114191160
[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine (CID 114191152) is N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine is FC(F)COCCNCCCCC1CCOCC1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine?
The InChIKey is ZEXYTHYAAPDLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO2/c14-13(15)11-18-10-7-16-6-2-1-3-12-4-8-17-9-5-12/h12-13,16H,1-11H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine has a molecular weight of 265.34 g/mol, XLogP of 2.45, 10 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]-4-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 114191152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).