CID 134981418

C11H17F3Ti — CID 134981418

IUPAC—
SMILESCC[C]1C(C)=C(C)C(C)=C1C.F[Ti](F)F
InChIInChI=1S/C11H17.3FH.Ti/c1-6-11-9(4)7(2)8(3)10(11)5;;;;/h6H2,1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyMYJALKYWMYKMDN-UHFFFAOYSA-K
MW254.12 g/mol
LogP4.92
Rot. Bonds1

About CID 134981418

CID 134981418 (PubChem CID 134981418) has the molecular formula C11H17F3Ti and a molecular weight of 254.12 g/mol.

Molecular Properties

Compound NameCID 134981418
PubChem CID134981418
Molecular FormulaC11H17F3Ti
Molecular Weight254.12 g/mol
Exact Mass254.08
IUPAC Name—
SMILESCC[C]1C(C)=C(C)C(C)=C1C.F[Ti](F)F
InChIInChI=1S/C11H17.3FH.Ti/c1-6-11-9(4)7(2)8(3)10(11)5;;;;/h6H2,1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyMYJALKYWMYKMDN-UHFFFAOYSA-K
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134981418?
The IUPAC name of CID 134981418 (CID 134981418) is not available.
What is the SMILES notation for CID 134981418?
The canonical SMILES for CID 134981418 is CC[C]1C(C)=C(C)C(C)=C1C.F[Ti](F)F.
What is the InChIKey of CID 134981418?
The InChIKey is MYJALKYWMYKMDN-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H17.3FH.Ti/c1-6-11-9(4)7(2)8(3)10(11)5;;;;/h6H2,1-5H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134981418?
CID 134981418 has a molecular weight of 254.12 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981418 is sourced from PubChem (CID 134981418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).