(1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene

C10H11F3OSe — CID 12586991

IUPAC(1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene
SMILESCOCC([Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3OSe/c1-14-7-9(10(11,12)13)15-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyYXEIIPHYHVVVGP-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.01
Rot. Bonds4

About (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene

(1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene (PubChem CID 12586991) has the molecular formula C10H11F3OSe and a molecular weight of 283.15 g/mol. Its IUPAC name is (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene.

Molecular Properties

Compound Name(1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene
PubChem CID12586991
Molecular FormulaC10H11F3OSe
Molecular Weight283.15 g/mol
Exact Mass283.99
IUPAC Name(1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene
SMILESCOCC([Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3OSe/c1-14-7-9(10(11,12)13)15-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyYXEIIPHYHVVVGP-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene?
The IUPAC name of (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene (CID 12586991) is (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene.
What is the SMILES notation for (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene?
The canonical SMILES for (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene is COCC([Se]c1ccccc1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene?
The InChIKey is YXEIIPHYHVVVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OSe/c1-14-7-9(10(11,12)13)15-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene?
(1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene has a molecular weight of 283.15 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-3-methoxypropan-2-yl)selanylbenzene is sourced from PubChem (CID 12586991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).