trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane

C7H13Br — CID 122235771

IUPACtrans-(1R,2S)-1-bromo-2-tert-butylcyclopropane
SMILESCC(C)(C)[C@@H]1C[C@H]1Br
InChIInChI=1S/C7H13Br/c1-7(2,3)5-4-6(5)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyTZLAVHKVJGZQJP-PHDIDXHHSA-N
MW177.08 g/mol
LogP2.82
Rot. Bonds

About trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane

trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane (PubChem CID 122235771) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-bromo-2-tert-butylcyclopropane
PubChem CID122235771
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Nametrans-(1R,2S)-1-bromo-2-tert-butylcyclopropane
SMILESCC(C)(C)[C@@H]1C[C@H]1Br
InChIInChI=1S/C7H13Br/c1-7(2,3)5-4-6(5)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyTZLAVHKVJGZQJP-PHDIDXHHSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 52.82
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-bromo-2-tert-butylcyclopropane?
The IUPAC name of trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane (CID 122235771) is trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane.
What is the SMILES notation for trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane?
The canonical SMILES for trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane is CC(C)(C)[C@@H]1C[C@H]1Br.
What is the InChIKey of trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane?
The InChIKey is TZLAVHKVJGZQJP-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13Br/c1-7(2,3)5-4-6(5)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane?
trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane has a molecular weight of 177.08 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-bromo-2-tert-butylcyclopropane is sourced from PubChem (CID 122235771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).