benzoic acid;titanium;trihydrofluoride

C7H9F3O2Ti — CID 173018170

IUPACbenzoic acid;titanium;trihydrofluoride
SMILESF.F.F.O=C(O)c1ccccc1.[Ti]
InChIInChI=1S/C7H6O2.3FH.Ti/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H,(H,8,9);3*1H;
InChIKeyYNQIJNGBDOPRQQ-UHFFFAOYSA-N
MW230.01 g/mol
LogP1.84
Rot. Bonds1

About benzoic acid;titanium;trihydrofluoride

benzoic acid;titanium;trihydrofluoride (PubChem CID 173018170) has the molecular formula C7H9F3O2Ti and a molecular weight of 230.01 g/mol. Its IUPAC name is benzoic acid;titanium;trihydrofluoride.

Molecular Properties

Compound Namebenzoic acid;titanium;trihydrofluoride
PubChem CID173018170
Molecular FormulaC7H9F3O2Ti
Molecular Weight230.01 g/mol
Exact Mass230.00
IUPAC Namebenzoic acid;titanium;trihydrofluoride
SMILESF.F.F.O=C(O)c1ccccc1.[Ti]
InChIInChI=1S/C7H6O2.3FH.Ti/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H,(H,8,9);3*1H;
InChIKeyYNQIJNGBDOPRQQ-UHFFFAOYSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.01
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;titanium;trihydrofluoride?
The IUPAC name of benzoic acid;titanium;trihydrofluoride (CID 173018170) is benzoic acid;titanium;trihydrofluoride.
What is the SMILES notation for benzoic acid;titanium;trihydrofluoride?
The canonical SMILES for benzoic acid;titanium;trihydrofluoride is F.F.F.O=C(O)c1ccccc1.[Ti].
What is the InChIKey of benzoic acid;titanium;trihydrofluoride?
The InChIKey is YNQIJNGBDOPRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.3FH.Ti/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H,(H,8,9);3*1H;.
What are the key properties of benzoic acid;titanium;trihydrofluoride?
benzoic acid;titanium;trihydrofluoride has a molecular weight of 230.01 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;titanium;trihydrofluoride is sourced from PubChem (CID 173018170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).