prop-1-ene;titanium(4+);tribromide

C3H5Br3Ti — CID 173162732

IUPACprop-1-ene;titanium(4+);tribromide
SMILESC=C[CH2-].[Br-].[Br-].[Br-].[Ti+4]
InChIInChI=1S/C3H5.3BrH.Ti/c1-3-2;;;;/h3H,1-2H2;3*1H;/q-1;;;;+4/p-3
InChIKeyRXVFFYZSJXAANM-UHFFFAOYSA-K
MW328.65 g/mol
LogP-7.98
Rot. Bonds

About prop-1-ene;titanium(4+);tribromide

prop-1-ene;titanium(4+);tribromide (PubChem CID 173162732) has the molecular formula C3H5Br3Ti and a molecular weight of 328.65 g/mol. Its IUPAC name is prop-1-ene;titanium(4+);tribromide.

Molecular Properties

Compound Nameprop-1-ene;titanium(4+);tribromide
PubChem CID173162732
Molecular FormulaC3H5Br3Ti
Molecular Weight328.65 g/mol
Exact Mass325.74
IUPAC Nameprop-1-ene;titanium(4+);tribromide
SMILESC=C[CH2-].[Br-].[Br-].[Br-].[Ti+4]
InChIInChI=1S/C3H5.3BrH.Ti/c1-3-2;;;;/h3H,1-2H2;3*1H;/q-1;;;;+4/p-3
InChIKeyRXVFFYZSJXAANM-UHFFFAOYSA-K
XLogP-7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 5-7.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(prop-1-ene);titanium(4+);chloride
CID 173363750
prop-1-ene;zinc
CID 86166625
prop-1-ene;titanium(2+)
CID 20517449
molybdenum(3+);tris(prop-1-ene)
CID 18615392
neodymium(3+);prop-1-ene
CID 23088810
prop-1-ene;titanium(3+)
CID 175904617
CID 139263487
CID 139263487
lithium;copper;prop-1-ene
CID 173194111
carbanide;prop-1-ene;tungsten(2+)
CID 59816484
CID 173236591
CID 173236591
bis(prop-1-ene);titanium(2+);hydrochloride
CID 174941469
methane;palladium;prop-1-ene
CID 175123096

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;titanium(4+);tribromide?
The IUPAC name of prop-1-ene;titanium(4+);tribromide (CID 173162732) is prop-1-ene;titanium(4+);tribromide.
What is the SMILES notation for prop-1-ene;titanium(4+);tribromide?
The canonical SMILES for prop-1-ene;titanium(4+);tribromide is C=C[CH2-].[Br-].[Br-].[Br-].[Ti+4].
What is the InChIKey of prop-1-ene;titanium(4+);tribromide?
The InChIKey is RXVFFYZSJXAANM-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H5.3BrH.Ti/c1-3-2;;;;/h3H,1-2H2;3*1H;/q-1;;;;+4/p-3.
What are the key properties of prop-1-ene;titanium(4+);tribromide?
prop-1-ene;titanium(4+);tribromide has a molecular weight of 328.65 g/mol, XLogP of -7.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;titanium(4+);tribromide is sourced from PubChem (CID 173162732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).