CID 101229257

C4H8Cl — CID 101229257

IUPAC—
SMILESC[CH][C@H](C)Cl
InChIInChI=1S/C4H8Cl/c1-3-4(2)5/h3-4H,1-2H3/t4-/m0/s1
InChIKeyGJGVSVOBAALCJW-BYPYZUCNSA-N
MW91.56 g/mol
LogP1.84
Rot. Bonds1

About CID 101229257

CID 101229257 (PubChem CID 101229257) has the molecular formula C4H8Cl and a molecular weight of 91.56 g/mol.

Molecular Properties

Compound NameCID 101229257
PubChem CID101229257
Molecular FormulaC4H8Cl
Molecular Weight91.56 g/mol
Exact Mass91.03
IUPAC Name—
SMILESC[CH][C@H](C)Cl
InChIInChI=1S/C4H8Cl/c1-3-4(2)5/h3-4H,1-2H3/t4-/m0/s1
InChIKeyGJGVSVOBAALCJW-BYPYZUCNSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.56
LogP ≤ 51.84
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 CID 101229257?
The IUPAC name of CID 101229257 (CID 101229257) is not available.
What is the SMILES notation for CID 101229257?
The canonical SMILES for CID 101229257 is C[CH][C@H](C)Cl.
What is the InChIKey of CID 101229257?
The InChIKey is GJGVSVOBAALCJW-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8Cl/c1-3-4(2)5/h3-4H,1-2H3/t4-/m0/s1.
What are the key properties of CID 101229257?
CID 101229257 has a molecular weight of 91.56 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101229257 is sourced from PubChem (CID 101229257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).