(2,2-difluoro-2-methoxyethyl)selanylbenzene

C9H10F2OSe — CID 12578042

IUPAC(2,2-difluoro-2-methoxyethyl)selanylbenzene
SMILESCOC(F)(F)C[Se]c1ccccc1
InChIInChI=1S/C9H10F2OSe/c1-12-9(10,11)7-13-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyQMEZZKBXVTXARB-UHFFFAOYSA-N
MW251.13 g/mol
LogP1.67
Rot. Bonds4

About (2,2-difluoro-2-methoxyethyl)selanylbenzene

(2,2-difluoro-2-methoxyethyl)selanylbenzene (PubChem CID 12578042) has the molecular formula C9H10F2OSe and a molecular weight of 251.13 g/mol. Its IUPAC name is (2,2-difluoro-2-methoxyethyl)selanylbenzene.

Molecular Properties

Compound Name(2,2-difluoro-2-methoxyethyl)selanylbenzene
PubChem CID12578042
Molecular FormulaC9H10F2OSe
Molecular Weight251.13 g/mol
Exact Mass251.99
IUPAC Name(2,2-difluoro-2-methoxyethyl)selanylbenzene
SMILESCOC(F)(F)C[Se]c1ccccc1
InChIInChI=1S/C9H10F2OSe/c1-12-9(10,11)7-13-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyQMEZZKBXVTXARB-UHFFFAOYSA-N
XLogP1.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 51.67
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 (2,2-difluoro-2-methoxyethyl)selanylbenzene?
The IUPAC name of (2,2-difluoro-2-methoxyethyl)selanylbenzene (CID 12578042) is (2,2-difluoro-2-methoxyethyl)selanylbenzene.
What is the SMILES notation for (2,2-difluoro-2-methoxyethyl)selanylbenzene?
The canonical SMILES for (2,2-difluoro-2-methoxyethyl)selanylbenzene is COC(F)(F)C[Se]c1ccccc1.
What is the InChIKey of (2,2-difluoro-2-methoxyethyl)selanylbenzene?
The InChIKey is QMEZZKBXVTXARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2OSe/c1-12-9(10,11)7-13-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of (2,2-difluoro-2-methoxyethyl)selanylbenzene?
(2,2-difluoro-2-methoxyethyl)selanylbenzene has a molecular weight of 251.13 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-2-methoxyethyl)selanylbenzene is sourced from PubChem (CID 12578042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).