(2S)-2-chlorobutane

C4H9Cl — CID 637146

IUPAC(2S)-2-chlorobutane
SMILESCC[C@H](C)Cl
InChIInChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyBSPCSKHALVHRSR-BYPYZUCNSA-N
MW92.57 g/mol
LogP2.02
Rot. Bonds1

About (2S)-2-chlorobutane

(2S)-2-chlorobutane (PubChem CID 637146) has the molecular formula C4H9Cl and a molecular weight of 92.57 g/mol. Its IUPAC name is (2S)-2-chlorobutane.

Molecular Properties

Compound Name(2S)-2-chlorobutane
PubChem CID637146
Molecular FormulaC4H9Cl
Molecular Weight92.57 g/mol
Exact Mass92.04
IUPAC Name(2S)-2-chlorobutane
SMILESCC[C@H](C)Cl
InChIInChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyBSPCSKHALVHRSR-BYPYZUCNSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.57
LogP ≤ 52.02
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 (2S)-2-chlorobutane?
The IUPAC name of (2S)-2-chlorobutane (CID 637146) is (2S)-2-chlorobutane.
What is the SMILES notation for (2S)-2-chlorobutane?
The canonical SMILES for (2S)-2-chlorobutane is CC[C@H](C)Cl.
What is the InChIKey of (2S)-2-chlorobutane?
The InChIKey is BSPCSKHALVHRSR-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-2-chlorobutane?
(2S)-2-chlorobutane has a molecular weight of 92.57 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chlorobutane is sourced from PubChem (CID 637146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).