CID 168742269

C8H14F3GaN2 — CID 168742269

IUPAC—
SMILESC/C(=N\C(C)C)N([Ga])C(C)C(F)(F)F
InChIInChI=1S/C8H14F3N2.Ga/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;+1
InChIKeyRGBHAMWACFBSSH-UHFFFAOYSA-N
MW264.93 g/mol
LogP2.15
Rot. Bonds2

About CID 168742269

CID 168742269 (PubChem CID 168742269) has the molecular formula C8H14F3GaN2 and a molecular weight of 264.93 g/mol.

Molecular Properties

Compound NameCID 168742269
PubChem CID168742269
Molecular FormulaC8H14F3GaN2
Molecular Weight264.93 g/mol
Exact Mass264.04
IUPAC Name—
SMILESC/C(=N\C(C)C)N([Ga])C(C)C(F)(F)F
InChIInChI=1S/C8H14F3N2.Ga/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;+1
InChIKeyRGBHAMWACFBSSH-UHFFFAOYSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.93
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 168742269?
The IUPAC name of CID 168742269 (CID 168742269) is not available.
What is the SMILES notation for CID 168742269?
The canonical SMILES for CID 168742269 is C/C(=N\C(C)C)N([Ga])C(C)C(F)(F)F.
What is the InChIKey of CID 168742269?
The InChIKey is RGBHAMWACFBSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N2.Ga/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;+1.
What are the key properties of CID 168742269?
CID 168742269 has a molecular weight of 264.93 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168742269 is sourced from PubChem (CID 168742269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).