1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine

C6H9ClF3NO3S — CID 165498723

IUPAC1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine
SMILESCOC1(C(F)(F)F)CN(S(=O)(=O)CCl)C1
InChIInChI=1S/C6H9ClF3NO3S/c1-14-5(6(8,9)10)2-11(3-5)15(12,13)4-7/h2-4H2,1H3
InChIKeyNAZBYFDOKSNYMV-UHFFFAOYSA-N
MW267.66 g/mol
LogP0.78
Rot. Bonds3

About 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine

1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine (PubChem CID 165498723) has the molecular formula C6H9ClF3NO3S and a molecular weight of 267.66 g/mol. Its IUPAC name is 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine
PubChem CID165498723
Molecular FormulaC6H9ClF3NO3S
Molecular Weight267.66 g/mol
Exact Mass266.99
IUPAC Name1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine
SMILESCOC1(C(F)(F)F)CN(S(=O)(=O)CCl)C1
InChIInChI=1S/C6H9ClF3NO3S/c1-14-5(6(8,9)10)2-11(3-5)15(12,13)4-7/h2-4H2,1H3
InChIKeyNAZBYFDOKSNYMV-UHFFFAOYSA-N
XLogP0.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethylsulfonyl)-3,3-dimethylazetidine
CID 130649715
1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 137444491
2-chloro-1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 121203329
3-chloro-1-[(3S)-3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 129498760
[1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
CID 130978989
1-(chloromethylsulfonyl)-4,4-diethylpiperidine
CID 63663969
1-(chloromethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490511
2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171704530
3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine
CID 121203267
1-(chloromethylsulfonyl)-4-methyl-1,4-diazepane
CID 63664100
1-(chloromethylsulfonyl)-4-(2-methylpropyl)piperazine
CID 63664929
2-(chloromethylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 55246587

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine?
The IUPAC name of 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine (CID 165498723) is 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine?
The canonical SMILES for 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine is COC1(C(F)(F)F)CN(S(=O)(=O)CCl)C1.
What is the InChIKey of 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine?
The InChIKey is NAZBYFDOKSNYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3NO3S/c1-14-5(6(8,9)10)2-11(3-5)15(12,13)4-7/h2-4H2,1H3.
What are the key properties of 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine?
1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine has a molecular weight of 267.66 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylsulfonyl)-3-methoxy-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 165498723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).