4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine

C10H17ClF3NO — CID 106299904

IUPAC4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine
SMILESFC(F)(F)CCCNC1(CCl)CCOCC1
InChIInChI=1S/C10H17ClF3NO/c11-8-9(3-6-16-7-4-9)15-5-1-2-10(12,13)14/h15H,1-8H2
InChIKeyAULAQWUEGDMXIG-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.71
Rot. Bonds5

About 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine

4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine (PubChem CID 106299904) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine
PubChem CID106299904
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine
SMILESFC(F)(F)CCCNC1(CCl)CCOCC1
InChIInChI=1S/C10H17ClF3NO/c11-8-9(3-6-16-7-4-9)15-5-1-2-10(12,13)14/h15H,1-8H2
InChIKeyAULAQWUEGDMXIG-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4,4,4-trifluorobutyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine (CID 106299904) is 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine is FC(F)(F)CCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine?
The InChIKey is AULAQWUEGDMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c11-8-9(3-6-16-7-4-9)15-5-1-2-10(12,13)14/h15H,1-8H2.
What are the key properties of 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine?
4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine has a molecular weight of 259.70 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine is sourced from PubChem (CID 106299904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).