1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol

C15H16BrFOS — CID 64767758

IUPAC1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1sccc1Br
InChIInChI=1S/C15H16BrFOS/c1-15(2,10-3-5-11(17)6-4-10)14(18)9-13-12(16)7-8-19-13/h3-8,14,18H,9H2,1-2H3
InChIKeyJNPWGACERHXUKG-UHFFFAOYSA-N
MW343.26 g/mol
LogP4.53
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol

1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 64767758) has the molecular formula C15H16BrFOS and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
PubChem CID64767758
Molecular FormulaC15H16BrFOS
Molecular Weight343.26 g/mol
Exact Mass342.01
IUPAC Name1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1sccc1Br
InChIInChI=1S/C15H16BrFOS/c1-15(2,10-3-5-11(17)6-4-10)14(18)9-13-12(16)7-8-19-13/h3-8,14,18H,9H2,1-2H3
InChIKeyJNPWGACERHXUKG-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (CID 64767758) is 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is CC(C)(c1ccc(F)cc1)C(O)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is JNPWGACERHXUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFOS/c1-15(2,10-3-5-11(17)6-4-10)14(18)9-13-12(16)7-8-19-13/h3-8,14,18H,9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol has a molecular weight of 343.26 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 64767758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).