4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine

C11H19ClF3NO2 — CID 106299988

IUPAC4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
SMILESFC(F)(F)COCCCNC1(CCl)CCOCC1
InChIInChI=1S/C11H19ClF3NO2/c12-8-10(2-6-17-7-3-10)16-4-1-5-18-9-11(13,14)15/h16H,1-9H2
InChIKeyONPRAOZUDHDDIN-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.33
Rot. Bonds7

About 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine

4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine (PubChem CID 106299988) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
PubChem CID106299988
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.73 g/mol
Exact Mass289.11
IUPAC Name4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
SMILESFC(F)(F)COCCCNC1(CCl)CCOCC1
InChIInChI=1S/C11H19ClF3NO2/c12-8-10(2-6-17-7-3-10)16-4-1-5-18-9-11(13,14)15/h16H,1-9H2
InChIKeyONPRAOZUDHDDIN-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.33
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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Related Compounds

1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
CID 65024834
3-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 65030205
1-chloro-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 106167540
4-(chloromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 106299695
4-(chloromethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 106299739
4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine
CID 106299759
4-(chloromethyl)-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 106299764
4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine
CID 106299797
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 106299802
4-(chloromethyl)-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine
CID 106299852
4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 106299904
4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
CID 106300011

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine (CID 106299988) is 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine is FC(F)(F)COCCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The InChIKey is ONPRAOZUDHDDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO2/c12-8-10(2-6-17-7-3-10)16-4-1-5-18-9-11(13,14)15/h16H,1-9H2.
What are the key properties of 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine has a molecular weight of 289.73 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine is sourced from PubChem (CID 106299988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).