N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine

C11H20F3NO2 — CID 82789600

IUPACN-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine
SMILESCCNC1CCOCC1OCCCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-15-9-4-7-16-8-10(9)17-6-3-5-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyCXSNHDXSDZXJEM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds6

About N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine

N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine (PubChem CID 82789600) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine
PubChem CID82789600
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine
SMILESCCNC1CCOCC1OCCCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-15-9-4-7-16-8-10(9)17-6-3-5-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyCXSNHDXSDZXJEM-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine?
The IUPAC name of N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine (CID 82789600) is N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine is CCNC1CCOCC1OCCCC(F)(F)F.
What is the InChIKey of N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine?
The InChIKey is CXSNHDXSDZXJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-15-9-4-7-16-8-10(9)17-6-3-5-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine?
N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-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 N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine is sourced from PubChem (CID 82789600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).