(2R,3S)-2,3-dichlorobutane

C4H8Cl2 — CID 6432415

IUPAC(2R,3S)-2,3-dichlorobutane
SMILESC[C@H](Cl)[C@@H](C)Cl
InChIInChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4+
InChIKeyRMISVOPUIFJTEO-ZXZARUISSA-N
MW127.01 g/mol
LogP2.24
Rot. Bonds1

About (2R,3S)-2,3-dichlorobutane

(2R,3S)-2,3-dichlorobutane (PubChem CID 6432415) has the molecular formula C4H8Cl2 and a molecular weight of 127.01 g/mol. Its IUPAC name is (2R,3S)-2,3-dichlorobutane.

Molecular Properties

Compound Name(2R,3S)-2,3-dichlorobutane
PubChem CID6432415
Molecular FormulaC4H8Cl2
Molecular Weight127.01 g/mol
Exact Mass126.00
IUPAC Name(2R,3S)-2,3-dichlorobutane
SMILESC[C@H](Cl)[C@@H](C)Cl
InChIInChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4+
InChIKeyRMISVOPUIFJTEO-ZXZARUISSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.01
LogP ≤ 52.24
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,3S)-2,3-dichlorobutane?
The IUPAC name of (2R,3S)-2,3-dichlorobutane (CID 6432415) is (2R,3S)-2,3-dichlorobutane.
What is the SMILES notation for (2R,3S)-2,3-dichlorobutane?
The canonical SMILES for (2R,3S)-2,3-dichlorobutane is C[C@H](Cl)[C@@H](C)Cl.
What is the InChIKey of (2R,3S)-2,3-dichlorobutane?
The InChIKey is RMISVOPUIFJTEO-ZXZARUISSA-N. The full InChI is InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4+.
What are the key properties of (2R,3S)-2,3-dichlorobutane?
(2R,3S)-2,3-dichlorobutane has a molecular weight of 127.01 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dichlorobutane is sourced from PubChem (CID 6432415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).