4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine

C10H17ClF3NO2 — CID 106299802

IUPAC4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
SMILESFC(F)(F)COCCNC1(CCl)CCOCC1
InChIInChI=1S/C10H17ClF3NO2/c11-7-9(1-4-16-5-2-9)15-3-6-17-8-10(12,13)14/h15H,1-8H2
InChIKeyNEMUKAITZBNOOE-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.94
Rot. Bonds6

About 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine

4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine (PubChem CID 106299802) has the molecular formula C10H17ClF3NO2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
PubChem CID106299802
Molecular FormulaC10H17ClF3NO2
Molecular Weight275.70 g/mol
Exact Mass275.09
IUPAC Name4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
SMILESFC(F)(F)COCCNC1(CCl)CCOCC1
InChIInChI=1S/C10H17ClF3NO2/c11-7-9(1-4-16-5-2-9)15-3-6-17-8-10(12,13)14/h15H,1-8H2
InChIKeyNEMUKAITZBNOOE-UHFFFAOYSA-N
XLogP1.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine (CID 106299802) is 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine is FC(F)(F)COCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The InChIKey is NEMUKAITZBNOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO2/c11-7-9(1-4-16-5-2-9)15-3-6-17-8-10(12,13)14/h15H,1-8H2.
What are the key properties of 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine has a molecular weight of 275.70 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 106299802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).