1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol

C11H14BrFOS — CID 63901398

IUPAC1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFOS/c1-15-5-4-9(14)6-8-2-3-11(13)10(12)7-8/h2-3,7,9,14H,4-6H2,1H3
InChIKeyIVSYEXWFJRDQKF-UHFFFAOYSA-N
MW293.20 g/mol
LogP3.24
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol

1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol (PubChem CID 63901398) has the molecular formula C11H14BrFOS and a molecular weight of 293.20 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
PubChem CID63901398
Molecular FormulaC11H14BrFOS
Molecular Weight293.20 g/mol
Exact Mass291.99
IUPAC Name1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFOS/c1-15-5-4-9(14)6-8-2-3-11(13)10(12)7-8/h2-3,7,9,14H,4-6H2,1H3
InChIKeyIVSYEXWFJRDQKF-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105111701
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757
1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
CID 65092433
1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol
CID 105402534
1-(3-chlorophenyl)-4-methylsulfanylbutan-2-ol
CID 63900166
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylsulfanylethanamine
CID 60658246
1-(3-bromo-4-fluorophenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027437
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 65148752
2-[(3-bromo-4-fluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 43106288

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol (CID 63901398) is 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol is CSCCC(O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol?
The InChIKey is IVSYEXWFJRDQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFOS/c1-15-5-4-9(14)6-8-2-3-11(13)10(12)7-8/h2-3,7,9,14H,4-6H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol?
1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol has a molecular weight of 293.20 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 63901398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).