[(1R,2R)-2-chlorocyclobutyl] acetate

C6H9ClO2 — CID 54233991

IUPAC[(1R,2R)-2-chlorocyclobutyl] acetate
SMILESCC(=O)O[C@@H]1CC[C@H]1Cl
InChIInChI=1S/C6H9ClO2/c1-4(8)9-6-3-2-5(6)7/h5-6H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeyQLFXUVPIDHBARD-PHDIDXHHSA-N
MW148.59 g/mol
LogP1.32
Rot. Bonds1

About [(1R,2R)-2-chlorocyclobutyl] acetate

[(1R,2R)-2-chlorocyclobutyl] acetate (PubChem CID 54233991) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is [(1R,2R)-2-chlorocyclobutyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-chlorocyclobutyl] acetate
PubChem CID54233991
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name[(1R,2R)-2-chlorocyclobutyl] acetate
SMILESCC(=O)O[C@@H]1CC[C@H]1Cl
InChIInChI=1S/C6H9ClO2/c1-4(8)9-6-3-2-5(6)7/h5-6H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeyQLFXUVPIDHBARD-PHDIDXHHSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2R)-2-chlorocyclobutyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxycyclobutyl) acetate
CID 68941344
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(3R,4S)-4-chloro-1,1-dioxothiolan-3-yl] acetate
CID 6994876
[(1S,3R,4S)-3,4-diacetyloxycyclohexyl] acetate
CID 12026264
[(1R,2R,5R,6R)-6-acetyloxy-9-azabicyclo[3.3.1]nonan-2-yl] acetate;hydrochloride
CID 139016634
[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate
CID 167445479
[(2S,3S,5R,6R)-2,3,4,5,6-pentachlorocyclohexyl] acetate
CID 101132735
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
(2,6,9-triacetyloxy-13-oxo-13lambda4-thiabicyclo[8.2.1]tridecan-5-yl) acetate
CID 13013140
[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
CID 100941844
[(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate
CID 11738808

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-chlorocyclobutyl] acetate?
The IUPAC name of [(1R,2R)-2-chlorocyclobutyl] acetate (CID 54233991) is [(1R,2R)-2-chlorocyclobutyl] acetate.
What is the SMILES notation for [(1R,2R)-2-chlorocyclobutyl] acetate?
The canonical SMILES for [(1R,2R)-2-chlorocyclobutyl] acetate is CC(=O)O[C@@H]1CC[C@H]1Cl.
What is the InChIKey of [(1R,2R)-2-chlorocyclobutyl] acetate?
The InChIKey is QLFXUVPIDHBARD-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-4(8)9-6-3-2-5(6)7/h5-6H,2-3H2,1H3/t5-,6-/m1/s1.
What are the key properties of [(1R,2R)-2-chlorocyclobutyl] acetate?
[(1R,2R)-2-chlorocyclobutyl] acetate has a molecular weight of 148.59 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-chlorocyclobutyl] acetate is sourced from PubChem (CID 54233991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).