hydron;(2S)-1,2,3-trichloropropane

C3H5Cl3 — CID 139063099

IUPAChydron;(2S)-1,2,3-trichloropropane
SMILESCl[CH-][C@H](Cl)CCl.[H+]
InChIInChI=1S/C3H4Cl3/c4-1-3(6)2-5/h1,3H,2H2/q-1/p+1/t3-/m0/s1
InChIKeyPXRMJJKXEUSEDC-VKHMYHEASA-O
MW147.43 g/mol
LogP2.35
Rot. Bonds2

About hydron;(2S)-1,2,3-trichloropropane

hydron;(2S)-1,2,3-trichloropropane (PubChem CID 139063099) has the molecular formula C3H5Cl3 and a molecular weight of 147.43 g/mol. Its IUPAC name is hydron;(2S)-1,2,3-trichloropropane.

Molecular Properties

Compound Namehydron;(2S)-1,2,3-trichloropropane
PubChem CID139063099
Molecular FormulaC3H5Cl3
Molecular Weight147.43 g/mol
Exact Mass145.95
IUPAC Namehydron;(2S)-1,2,3-trichloropropane
SMILESCl[CH-][C@H](Cl)CCl.[H+]
InChIInChI=1S/C3H4Cl3/c4-1-3(6)2-5/h1,3H,2H2/q-1/p+1/t3-/m0/s1
InChIKeyPXRMJJKXEUSEDC-VKHMYHEASA-O
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;(2S)-1,2,3-trichloropropane?
The IUPAC name of hydron;(2S)-1,2,3-trichloropropane (CID 139063099) is hydron;(2S)-1,2,3-trichloropropane.
What is the SMILES notation for hydron;(2S)-1,2,3-trichloropropane?
The canonical SMILES for hydron;(2S)-1,2,3-trichloropropane is Cl[CH-][C@H](Cl)CCl.[H+].
What is the InChIKey of hydron;(2S)-1,2,3-trichloropropane?
The InChIKey is PXRMJJKXEUSEDC-VKHMYHEASA-O. The full InChI is InChI=1S/C3H4Cl3/c4-1-3(6)2-5/h1,3H,2H2/q-1/p+1/t3-/m0/s1.
What are the key properties of hydron;(2S)-1,2,3-trichloropropane?
hydron;(2S)-1,2,3-trichloropropane has a molecular weight of 147.43 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;(2S)-1,2,3-trichloropropane is sourced from PubChem (CID 139063099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).