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

C9H15ClF3NO3S — CID 83059736

IUPAC2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine
SMILESO=S(=O)(CCCC(F)(F)F)N1CCOC(CCl)C1
InChIInChI=1S/C9H15ClF3NO3S/c10-6-8-7-14(3-4-17-8)18(15,16)5-1-2-9(11,12)13/h8H,1-7H2
InChIKeyANRJOFVPAUUKFW-UHFFFAOYSA-N
MW309.74 g/mol
LogP1.60
Rot. Bonds5

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

2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine (PubChem CID 83059736) has the molecular formula C9H15ClF3NO3S and a molecular weight of 309.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine
PubChem CID83059736
Molecular FormulaC9H15ClF3NO3S
Molecular Weight309.74 g/mol
Exact Mass309.04
IUPAC Name2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine
SMILESO=S(=O)(CCCC(F)(F)F)N1CCOC(CCl)C1
InChIInChI=1S/C9H15ClF3NO3S/c10-6-8-7-14(3-4-17-8)18(15,16)5-1-2-9(11,12)13/h8H,1-7H2
InChIKeyANRJOFVPAUUKFW-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 51.60
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)-4-(4,4,4-trifluorobutylsulfonyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine (CID 83059736) is 2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine is O=S(=O)(CCCC(F)(F)F)N1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine?
The InChIKey is ANRJOFVPAUUKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO3S/c10-6-8-7-14(3-4-17-8)18(15,16)5-1-2-9(11,12)13/h8H,1-7H2.
What are the key properties of 2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine?
2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine has a molecular weight of 309.74 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine is sourced from PubChem (CID 83059736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).