(2-bromophenoxy)methyl-trifluoro-λ4-sulfane

C7H6BrF3OS — CID 175094487

IUPAC(2-bromophenoxy)methyl-trifluoro-λ4-sulfane
SMILESFS(F)(F)COc1ccccc1Br
InChIInChI=1S/C7H6BrF3OS/c8-6-3-1-2-4-7(6)12-5-13(9,10)11/h1-4H,5H2
InChIKeyBAMILZBZIRTLRL-UHFFFAOYSA-N
MW275.09 g/mol
LogP4.24
Rot. Bonds3

About (2-bromophenoxy)methyl-trifluoro-λ4-sulfane

(2-bromophenoxy)methyl-trifluoro-λ4-sulfane (PubChem CID 175094487) has the molecular formula C7H6BrF3OS and a molecular weight of 275.09 g/mol. Its IUPAC name is (2-bromophenoxy)methyl-trifluoro-λ4-sulfane.

Molecular Properties

Compound Name(2-bromophenoxy)methyl-trifluoro-λ4-sulfane
PubChem CID175094487
Molecular FormulaC7H6BrF3OS
Molecular Weight275.09 g/mol
Exact Mass273.93
IUPAC Name(2-bromophenoxy)methyl-trifluoro-λ4-sulfane
SMILESFS(F)(F)COc1ccccc1Br
InChIInChI=1S/C7H6BrF3OS/c8-6-3-1-2-4-7(6)12-5-13(9,10)11/h1-4H,5H2
InChIKeyBAMILZBZIRTLRL-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 116616006
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Frequently Asked Questions

What is the IUPAC name of (2-bromophenoxy)methyl-trifluoro-λ4-sulfane?
The IUPAC name of (2-bromophenoxy)methyl-trifluoro-λ4-sulfane (CID 175094487) is (2-bromophenoxy)methyl-trifluoro-λ4-sulfane.
What is the SMILES notation for (2-bromophenoxy)methyl-trifluoro-λ4-sulfane?
The canonical SMILES for (2-bromophenoxy)methyl-trifluoro-λ4-sulfane is FS(F)(F)COc1ccccc1Br.
What is the InChIKey of (2-bromophenoxy)methyl-trifluoro-λ4-sulfane?
The InChIKey is BAMILZBZIRTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3OS/c8-6-3-1-2-4-7(6)12-5-13(9,10)11/h1-4H,5H2.
What are the key properties of (2-bromophenoxy)methyl-trifluoro-λ4-sulfane?
(2-bromophenoxy)methyl-trifluoro-λ4-sulfane has a molecular weight of 275.09 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenoxy)methyl-trifluoro-λ4-sulfane is sourced from PubChem (CID 175094487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).