CID 134981127

C8H11Cl3OTi — CID 134981127

IUPAC—
SMILESCOCCC1=CC=C[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C8H11O.3ClH.Ti/c1-9-7-6-8-4-2-3-5-8;;;;/h2-5H,6-7H2,1H3;3*1H;/q;;;;+3/p-3
InChIKeyNBYOCAQPALZMJE-UHFFFAOYSA-K
MW277.40 g/mol
LogP3.79
Rot. Bonds3

About CID 134981127

CID 134981127 (PubChem CID 134981127) has the molecular formula C8H11Cl3OTi and a molecular weight of 277.40 g/mol.

Molecular Properties

Compound NameCID 134981127
PubChem CID134981127
Molecular FormulaC8H11Cl3OTi
Molecular Weight277.40 g/mol
Exact Mass275.94
IUPAC Name—
SMILESCOCCC1=CC=C[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C8H11O.3ClH.Ti/c1-9-7-6-8-4-2-3-5-8;;;;/h2-5H,6-7H2,1H3;3*1H;/q;;;;+3/p-3
InChIKeyNBYOCAQPALZMJE-UHFFFAOYSA-K
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 134981127?
The IUPAC name of CID 134981127 (CID 134981127) is not available.
What is the SMILES notation for CID 134981127?
The canonical SMILES for CID 134981127 is COCCC1=CC=C[CH]1.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 134981127?
The InChIKey is NBYOCAQPALZMJE-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H11O.3ClH.Ti/c1-9-7-6-8-4-2-3-5-8;;;;/h2-5H,6-7H2,1H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134981127?
CID 134981127 has a molecular weight of 277.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981127 is sourced from PubChem (CID 134981127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).