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

C15H16BrFOS — CID 64770692

IUPAC1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1cc(Br)cs1
InChIInChI=1S/C15H16BrFOS/c1-15(2,10-3-5-12(17)6-4-10)14(18)8-13-7-11(16)9-19-13/h3-7,9,14,18H,8H2,1-2H3
InChIKeyJSBMGXOPNOIWHQ-UHFFFAOYSA-N
MW343.26 g/mol
LogP4.53
Rot. Bonds4

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

1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 64770692) has the molecular formula C15H16BrFOS and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
PubChem CID64770692
Molecular FormulaC15H16BrFOS
Molecular Weight343.26 g/mol
Exact Mass342.01
IUPAC Name1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1cc(Br)cs1
InChIInChI=1S/C15H16BrFOS/c1-15(2,10-3-5-12(17)6-4-10)14(18)8-13-7-11(16)9-19-13/h3-7,9,14,18H,8H2,1-2H3
InChIKeyJSBMGXOPNOIWHQ-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-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (CID 64770692) is 1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is CC(C)(c1ccc(F)cc1)C(O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is JSBMGXOPNOIWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFOS/c1-15(2,10-3-5-12(17)6-4-10)14(18)8-13-7-11(16)9-19-13/h3-7,9,14,18H,8H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
1-(4-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-(4-bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 64770692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).