2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene

C14H12BrFOS — CID 54971139

IUPAC2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene
SMILESCOc1ccccc1SCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrFOS/c1-17-13-4-2-3-5-14(13)18-9-10-6-7-12(16)11(15)8-10/h2-8H,9H2,1H3
InChIKeyKUGDVDGEZPXQOT-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.89
Rot. Bonds4

About 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene

2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene (PubChem CID 54971139) has the molecular formula C14H12BrFOS and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene
PubChem CID54971139
Molecular FormulaC14H12BrFOS
Molecular Weight327.22 g/mol
Exact Mass325.98
IUPAC Name2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene
SMILESCOc1ccccc1SCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrFOS/c1-17-13-4-2-3-5-14(13)18-9-10-6-7-12(16)11(15)8-10/h2-8H,9H2,1H3
InChIKeyKUGDVDGEZPXQOT-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-[(2-methoxyphenyl)sulfanylmethyl]phenol
CID 61296158
[3-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 61291113
2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene
CID 55193000
2-bromo-4-[(3,4-dimethylphenyl)sulfanylmethyl]-1-fluorobenzene
CID 55193761
3-bromo-4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 82841653
4-(benzylsulfanylmethyl)-2-bromo-1-fluorobenzene
CID 63458736
2-bromo-1-fluoro-4-[(3-methylphenyl)sulfanylmethyl]benzene
CID 63458750
2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene
CID 55192429
1-[(3-bromo-4-fluorophenyl)methylsulfanyl]-3,5-dichlorobenzene
CID 112736331
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene?
The IUPAC name of 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene (CID 54971139) is 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene is COc1ccccc1SCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene?
The InChIKey is KUGDVDGEZPXQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFOS/c1-17-13-4-2-3-5-14(13)18-9-10-6-7-12(16)11(15)8-10/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene?
2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene has a molecular weight of 327.22 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 54971139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).