(3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane

C7H6BrF5OS — CID 56960566

IUPAC(3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane
SMILESCOc1ccc(S(F)(F)(F)(F)F)cc1Br
InChIInChI=1S/C7H6BrF5OS/c1-14-7-3-2-5(4-6(7)8)15(9,10,11,12)13/h2-4H,1H3
InChIKeyJPKUQDYQRIVMML-UHFFFAOYSA-N
MW313.09 g/mol
LogP5.12
Rot. Bonds2

About (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane

(3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane (PubChem CID 56960566) has the molecular formula C7H6BrF5OS and a molecular weight of 313.09 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane
PubChem CID56960566
Molecular FormulaC7H6BrF5OS
Molecular Weight313.09 g/mol
Exact Mass311.92
IUPAC Name(3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane
SMILESCOc1ccc(S(F)(F)(F)(F)F)cc1Br
InChIInChI=1S/C7H6BrF5OS/c1-14-7-3-2-5(4-6(7)8)15(9,10,11,12)13/h2-4H,1H3
InChIKeyJPKUQDYQRIVMML-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.09
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-chloro-1-methoxybenzene
CID 140982994
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
1-(3-bromo-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79190451
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene
CID 91877376
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane?
The IUPAC name of (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane (CID 56960566) is (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane is COc1ccc(S(F)(F)(F)(F)F)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane?
The InChIKey is JPKUQDYQRIVMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF5OS/c1-14-7-3-2-5(4-6(7)8)15(9,10,11,12)13/h2-4H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane?
(3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane has a molecular weight of 313.09 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 56960566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).