1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol

C15H13BrF2OS — CID 66145226

IUPAC1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
SMILESOC(CSc1ccccc1Br)Cc1cc(F)ccc1F
InChIInChI=1S/C15H13BrF2OS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(17)5-6-14(10)18/h1-7,12,19H,8-9H2
InChIKeyHGVJKXINXNOHIH-UHFFFAOYSA-N
MW359.24 g/mol
LogP4.42
Rot. Bonds5

About 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol

1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol (PubChem CID 66145226) has the molecular formula C15H13BrF2OS and a molecular weight of 359.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
PubChem CID66145226
Molecular FormulaC15H13BrF2OS
Molecular Weight359.24 g/mol
Exact Mass357.98
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
SMILESOC(CSc1ccccc1Br)Cc1cc(F)ccc1F
InChIInChI=1S/C15H13BrF2OS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(17)5-6-14(10)18/h1-7,12,19H,8-9H2
InChIKeyHGVJKXINXNOHIH-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
[1-(2-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105238200
1-butan-2-ylsulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 65136744
1-(3-bromophenyl)sulfanyl-3-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103048267
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
CID 66143470
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66052488

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol (CID 66145226) is 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol is OC(CSc1ccccc1Br)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol?
The InChIKey is HGVJKXINXNOHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2OS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(17)5-6-14(10)18/h1-7,12,19H,8-9H2.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol?
1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol has a molecular weight of 359.24 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 66145226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).