(2R,3R,4S)-1,2,3,4-tetrabromopentane

C5H8Br4 — CID 97292402

IUPAC(2R,3R,4S)-1,2,3,4-tetrabromopentane
SMILESC[C@H](Br)[C@@H](Br)[C@H](Br)CBr
InChIInChI=1S/C5H8Br4/c1-3(7)5(9)4(8)2-6/h3-5H,2H2,1H3/t3-,4+,5+/m0/s1
InChIKeyNALIDLUWYFOKFM-VPENINKCSA-N
MW387.74 g/mol
LogP3.69
Rot. Bonds3

About (2R,3R,4S)-1,2,3,4-tetrabromopentane

(2R,3R,4S)-1,2,3,4-tetrabromopentane (PubChem CID 97292402) has the molecular formula C5H8Br4 and a molecular weight of 387.74 g/mol. Its IUPAC name is (2R,3R,4S)-1,2,3,4-tetrabromopentane.

Molecular Properties

Compound Name(2R,3R,4S)-1,2,3,4-tetrabromopentane
PubChem CID97292402
Molecular FormulaC5H8Br4
Molecular Weight387.74 g/mol
Exact Mass383.74
IUPAC Name(2R,3R,4S)-1,2,3,4-tetrabromopentane
SMILESC[C@H](Br)[C@@H](Br)[C@H](Br)CBr
InChIInChI=1S/C5H8Br4/c1-3(7)5(9)4(8)2-6/h3-5H,2H2,1H3/t3-,4+,5+/m0/s1
InChIKeyNALIDLUWYFOKFM-VPENINKCSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 53.69
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 (2R,3R,4S)-1,2,3,4-tetrabromopentane?
The IUPAC name of (2R,3R,4S)-1,2,3,4-tetrabromopentane (CID 97292402) is (2R,3R,4S)-1,2,3,4-tetrabromopentane.
What is the SMILES notation for (2R,3R,4S)-1,2,3,4-tetrabromopentane?
The canonical SMILES for (2R,3R,4S)-1,2,3,4-tetrabromopentane is C[C@H](Br)[C@@H](Br)[C@H](Br)CBr.
What is the InChIKey of (2R,3R,4S)-1,2,3,4-tetrabromopentane?
The InChIKey is NALIDLUWYFOKFM-VPENINKCSA-N. The full InChI is InChI=1S/C5H8Br4/c1-3(7)5(9)4(8)2-6/h3-5H,2H2,1H3/t3-,4+,5+/m0/s1.
What are the key properties of (2R,3R,4S)-1,2,3,4-tetrabromopentane?
(2R,3R,4S)-1,2,3,4-tetrabromopentane has a molecular weight of 387.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-1,2,3,4-tetrabromopentane is sourced from PubChem (CID 97292402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).