(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one

C5H5Cl3O2 — CID 5325909

IUPAC(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one
SMILESC[C@]1(C(Cl)(Cl)Cl)CC(=O)O1
InChIInChI=1S/C5H5Cl3O2/c1-4(5(6,7)8)2-3(9)10-4/h2H2,1H3/t4-/m1/s1
InChIKeyMIYJBPXTAZJPGX-SCSAIBSYSA-N
MW203.45 g/mol
LogP2.06
Rot. Bonds

About (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one

(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one (PubChem CID 5325909) has the molecular formula C5H5Cl3O2 and a molecular weight of 203.45 g/mol. Its IUPAC name is (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one
PubChem CID5325909
Molecular FormulaC5H5Cl3O2
Molecular Weight203.45 g/mol
Exact Mass201.94
IUPAC Name(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one
SMILESC[C@]1(C(Cl)(Cl)Cl)CC(=O)O1
InChIInChI=1S/C5H5Cl3O2/c1-4(5(6,7)8)2-3(9)10-4/h2H2,1H3/t4-/m1/s1
InChIKeyMIYJBPXTAZJPGX-SCSAIBSYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one?
The IUPAC name of (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one (CID 5325909) is (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one.
What is the SMILES notation for (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one?
The canonical SMILES for (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one is C[C@]1(C(Cl)(Cl)Cl)CC(=O)O1.
What is the InChIKey of (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one?
The InChIKey is MIYJBPXTAZJPGX-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H5Cl3O2/c1-4(5(6,7)8)2-3(9)10-4/h2H2,1H3/t4-/m1/s1.
What are the key properties of (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one?
(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one has a molecular weight of 203.45 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-(trichloromethyl)oxetan-2-one is sourced from PubChem (CID 5325909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).