trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane

C6H11Cl — CID 55302290

IUPACtrans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane
SMILESC[C@H]1CC[C@H]1CCl
InChIInChI=1S/C6H11Cl/c1-5-2-3-6(5)4-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyCAWUBFAAMHCWRM-WDSKDSINSA-N
MW118.61 g/mol
LogP2.27
Rot. Bonds1

About trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane

trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane (PubChem CID 55302290) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane
PubChem CID55302290
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Nametrans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane
SMILESC[C@H]1CC[C@H]1CCl
InChIInChI=1S/C6H11Cl/c1-5-2-3-6(5)4-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyCAWUBFAAMHCWRM-WDSKDSINSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane?
The IUPAC name of trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane (CID 55302290) is trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane.
What is the SMILES notation for trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane?
The canonical SMILES for trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane is C[C@H]1CC[C@H]1CCl.
What is the InChIKey of trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane?
The InChIKey is CAWUBFAAMHCWRM-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11Cl/c1-5-2-3-6(5)4-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane?
trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane has a molecular weight of 118.61 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane is sourced from PubChem (CID 55302290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).