[(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol

C7H11Br2ClO — CID 70480896

IUPAC[(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
SMILESOC[C@H]1[C@@H](CCCCl)C1(Br)Br
InChIInChI=1S/C7H11Br2ClO/c8-7(9)5(2-1-3-10)6(7)4-11/h5-6,11H,1-4H2/t5-,6+/m1/s1
InChIKeyFFKLKBJBSSXLKF-RITPCOANSA-N
MW306.43 g/mol
LogP2.73
Rot. Bonds4

About [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol

[(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol (PubChem CID 70480896) has the molecular formula C7H11Br2ClO and a molecular weight of 306.43 g/mol. Its IUPAC name is [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
PubChem CID70480896
Molecular FormulaC7H11Br2ClO
Molecular Weight306.43 g/mol
Exact Mass303.89
IUPAC Name[(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
SMILESOC[C@H]1[C@@H](CCCCl)C1(Br)Br
InChIInChI=1S/C7H11Br2ClO/c8-7(9)5(2-1-3-10)6(7)4-11/h5-6,11H,1-4H2/t5-,6+/m1/s1
InChIKeyFFKLKBJBSSXLKF-RITPCOANSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol?
The IUPAC name of [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol (CID 70480896) is [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol is OC[C@H]1[C@@H](CCCCl)C1(Br)Br.
What is the InChIKey of [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol?
The InChIKey is FFKLKBJBSSXLKF-RITPCOANSA-N. The full InChI is InChI=1S/C7H11Br2ClO/c8-7(9)5(2-1-3-10)6(7)4-11/h5-6,11H,1-4H2/t5-,6+/m1/s1.
What are the key properties of [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol?
[(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol has a molecular weight of 306.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol is sourced from PubChem (CID 70480896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).