2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine

C10H17ClF3NO3S — CID 83060010

IUPAC2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine
SMILESCC1COC(CCl)CN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO3S/c1-8-7-18-9(5-11)6-15(8)19(16,17)4-2-3-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyCQZMWGBSXAPXGL-UHFFFAOYSA-N
MW323.76 g/mol
LogP1.99
Rot. Bonds5

About 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine

2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine (PubChem CID 83060010) has the molecular formula C10H17ClF3NO3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine
PubChem CID83060010
Molecular FormulaC10H17ClF3NO3S
Molecular Weight323.76 g/mol
Exact Mass323.06
IUPAC Name2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine
SMILESCC1COC(CCl)CN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO3S/c1-8-7-18-9(5-11)6-15(8)19(16,17)4-2-3-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyCQZMWGBSXAPXGL-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine (CID 83060010) is 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine is CC1COC(CCl)CN1S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine?
The InChIKey is CQZMWGBSXAPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO3S/c1-8-7-18-9(5-11)6-15(8)19(16,17)4-2-3-10(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine?
2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine has a molecular weight of 323.76 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine is sourced from PubChem (CID 83060010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).