2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine

C10H17ClF3NO — CID 102936553

IUPAC2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine
SMILESCC1CN(CCCC(F)(F)F)CC(CCl)O1
InChIInChI=1S/C10H17ClF3NO/c1-8-6-15(7-9(5-11)16-8)4-2-3-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyPCTHHSQAUJLOHZ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.66
Rot. Bonds4

About 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine

2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine (PubChem CID 102936553) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine
PubChem CID102936553
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine
SMILESCC1CN(CCCC(F)(F)F)CC(CCl)O1
InChIInChI=1S/C10H17ClF3NO/c1-8-6-15(7-9(5-11)16-8)4-2-3-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyPCTHHSQAUJLOHZ-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine (CID 102936553) is 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine is CC1CN(CCCC(F)(F)F)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine?
The InChIKey is PCTHHSQAUJLOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-8-6-15(7-9(5-11)16-8)4-2-3-10(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine?
2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine has a molecular weight of 259.70 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-(4,4,4-trifluorobutyl)morpholine is sourced from PubChem (CID 102936553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).