CID 59274240

C6H10Cl — CID 59274240

IUPAC—
SMILESCC1[CH]C(Cl)C1C
InChIInChI=1S/C6H10Cl/c1-4-3-6(7)5(4)2/h3-6H,1-2H3
InChIKeyFXGVWDUWIBLMPG-UHFFFAOYSA-N
MW117.60 g/mol
LogP2.08
Rot. Bonds

About CID 59274240

CID 59274240 (PubChem CID 59274240) has the molecular formula C6H10Cl and a molecular weight of 117.60 g/mol.

Molecular Properties

Compound NameCID 59274240
PubChem CID59274240
Molecular FormulaC6H10Cl
Molecular Weight117.60 g/mol
Exact Mass117.05
IUPAC Name—
SMILESCC1[CH]C(Cl)C1C
InChIInChI=1S/C6H10Cl/c1-4-3-6(7)5(4)2/h3-6H,1-2H3
InChIKeyFXGVWDUWIBLMPG-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.60
LogP ≤ 52.08
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 59274240?
The IUPAC name of CID 59274240 (CID 59274240) is not available.
What is the SMILES notation for CID 59274240?
The canonical SMILES for CID 59274240 is CC1[CH]C(Cl)C1C.
What is the InChIKey of CID 59274240?
The InChIKey is FXGVWDUWIBLMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl/c1-4-3-6(7)5(4)2/h3-6H,1-2H3.
What are the key properties of CID 59274240?
CID 59274240 has a molecular weight of 117.60 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59274240 is sourced from PubChem (CID 59274240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).