6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten

C11H22FW- — CID 59700370

IUPAC6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten
SMILES[2H][C-](CC)CC(C)(C)CC(C)(C)F.[W]
InChIInChI=1S/C11H22F.W/c1-6-7-8-10(2,3)9-11(4,5)12;/h7H,6,8-9H2,1-5H3;/q-1;/i7D;
InChIKeyMSZUIRNCFGMWAO-DRGWXPQLSA-N
MW358.14 g/mol
LogP4.15
Rot. Bonds5

About 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten

6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten (PubChem CID 59700370) has the molecular formula C11H22FW- and a molecular weight of 358.14 g/mol. Its IUPAC name is 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten.

Molecular Properties

Compound Name6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten
PubChem CID59700370
Molecular FormulaC11H22FW-
Molecular Weight358.14 g/mol
Exact Mass358.13
IUPAC Name6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten
SMILES[2H][C-](CC)CC(C)(C)CC(C)(C)F.[W]
InChIInChI=1S/C11H22F.W/c1-6-7-8-10(2,3)9-11(4,5)12;/h7H,6,8-9H2,1-5H3;/q-1;/i7D;
InChIKeyMSZUIRNCFGMWAO-DRGWXPQLSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten?
The IUPAC name of 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten (CID 59700370) is 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten.
What is the SMILES notation for 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten?
The canonical SMILES for 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten is [2H][C-](CC)CC(C)(C)CC(C)(C)F.[W].
What is the InChIKey of 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten?
The InChIKey is MSZUIRNCFGMWAO-DRGWXPQLSA-N. The full InChI is InChI=1S/C11H22F.W/c1-6-7-8-10(2,3)9-11(4,5)12;/h7H,6,8-9H2,1-5H3;/q-1;/i7D;.
What are the key properties of 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten?
6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten has a molecular weight of 358.14 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten is sourced from PubChem (CID 59700370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).