1-chloropropane;titanium

C3H6ClTi- — CID 174572587

IUPAC1-chloropropane;titanium
SMILES[CH2-]CCCl.[Ti]
InChIInChI=1S/C3H6Cl.Ti/c1-2-3-4;/h1-3H2;/q-1;
InChIKeyLEISDONDQMRFQI-UHFFFAOYSA-N
MW125.40 g/mol
LogP1.45
Rot. Bonds1

About 1-chloropropane;titanium

1-chloropropane;titanium (PubChem CID 174572587) has the molecular formula C3H6ClTi- and a molecular weight of 125.40 g/mol. Its IUPAC name is 1-chloropropane;titanium.

Molecular Properties

Compound Name1-chloropropane;titanium
PubChem CID174572587
Molecular FormulaC3H6ClTi-
Molecular Weight125.40 g/mol
Exact Mass124.96
IUPAC Name1-chloropropane;titanium
SMILES[CH2-]CCCl.[Ti]
InChIInChI=1S/C3H6Cl.Ti/c1-2-3-4;/h1-3H2;/q-1;
InChIKeyLEISDONDQMRFQI-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.40
LogP ≤ 51.45
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;titanium?
The IUPAC name of 1-chloropropane;titanium (CID 174572587) is 1-chloropropane;titanium.
What is the SMILES notation for 1-chloropropane;titanium?
The canonical SMILES for 1-chloropropane;titanium is [CH2-]CCCl.[Ti].
What is the InChIKey of 1-chloropropane;titanium?
The InChIKey is LEISDONDQMRFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl.Ti/c1-2-3-4;/h1-3H2;/q-1;.
What are the key properties of 1-chloropropane;titanium?
1-chloropropane;titanium has a molecular weight of 125.40 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;titanium is sourced from PubChem (CID 174572587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).