2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol

C7H11Br2ClO — CID 70480772

IUPAC2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol
SMILESOCC[C@@H]1[C@H](CCCl)C1(Br)Br
InChIInChI=1S/C7H11Br2ClO/c8-7(9)5(1-3-10)6(7)2-4-11/h5-6,11H,1-4H2/t5-,6+/m0/s1
InChIKeyPYNGMENVFVOGMU-NTSWFWBYSA-N
MW306.43 g/mol
LogP2.73
Rot. Bonds4

About 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol

2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol (PubChem CID 70480772) has the molecular formula C7H11Br2ClO and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol
PubChem CID70480772
Molecular FormulaC7H11Br2ClO
Molecular Weight306.43 g/mol
Exact Mass303.89
IUPAC Name2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol
SMILESOCC[C@@H]1[C@H](CCCl)C1(Br)Br
InChIInChI=1S/C7H11Br2ClO/c8-7(9)5(1-3-10)6(7)2-4-11/h5-6,11H,1-4H2/t5-,6+/m0/s1
InChIKeyPYNGMENVFVOGMU-NTSWFWBYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol (CID 70480772) is 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol is OCC[C@@H]1[C@H](CCCl)C1(Br)Br.
What is the InChIKey of 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol?
The InChIKey is PYNGMENVFVOGMU-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11Br2ClO/c8-7(9)5(1-3-10)6(7)2-4-11/h5-6,11H,1-4H2/t5-,6+/m0/s1.
What are the key properties of 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol?
2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol 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 2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol is sourced from PubChem (CID 70480772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).