(1S)-1,2-bis(bromomethyl)cyclopropane

C5H8Br2 — CID 90178479

IUPAC(1S)-1,2-bis(bromomethyl)cyclopropane
SMILESBrCC1C[C@@H]1CBr
InChIInChI=1S/C5H8Br2/c6-2-4-1-5(4)3-7/h4-5H,1-3H2/t4-,5?/m1/s1
InChIKeyBYTFOVGHZSNHNT-CNZKWPKMSA-N
MW227.93 g/mol
LogP2.41
Rot. Bonds2

About (1S)-1,2-bis(bromomethyl)cyclopropane

(1S)-1,2-bis(bromomethyl)cyclopropane (PubChem CID 90178479) has the molecular formula C5H8Br2 and a molecular weight of 227.93 g/mol. Its IUPAC name is (1S)-1,2-bis(bromomethyl)cyclopropane.

Molecular Properties

Compound Name(1S)-1,2-bis(bromomethyl)cyclopropane
PubChem CID90178479
Molecular FormulaC5H8Br2
Molecular Weight227.93 g/mol
Exact Mass225.90
IUPAC Name(1S)-1,2-bis(bromomethyl)cyclopropane
SMILESBrCC1C[C@@H]1CBr
InChIInChI=1S/C5H8Br2/c6-2-4-1-5(4)3-7/h4-5H,1-3H2/t4-,5?/m1/s1
InChIKeyBYTFOVGHZSNHNT-CNZKWPKMSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.93
LogP ≤ 52.41
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 (1S)-1,2-bis(bromomethyl)cyclopropane?
The IUPAC name of (1S)-1,2-bis(bromomethyl)cyclopropane (CID 90178479) is (1S)-1,2-bis(bromomethyl)cyclopropane.
What is the SMILES notation for (1S)-1,2-bis(bromomethyl)cyclopropane?
The canonical SMILES for (1S)-1,2-bis(bromomethyl)cyclopropane is BrCC1C[C@@H]1CBr.
What is the InChIKey of (1S)-1,2-bis(bromomethyl)cyclopropane?
The InChIKey is BYTFOVGHZSNHNT-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H8Br2/c6-2-4-1-5(4)3-7/h4-5H,1-3H2/t4-,5?/m1/s1.
What are the key properties of (1S)-1,2-bis(bromomethyl)cyclopropane?
(1S)-1,2-bis(bromomethyl)cyclopropane has a molecular weight of 227.93 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2-bis(bromomethyl)cyclopropane is sourced from PubChem (CID 90178479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).