1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

C14H14BrFOS — CID 114833318

IUPAC1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C14H14BrFOS/c1-14(17,9-12-5-6-13(15)18-12)8-10-3-2-4-11(16)7-10/h2-7,17H,8-9H2,1H3
InChIKeyXNOMSAQELWDLPX-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.19
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114833318) has the molecular formula C14H14BrFOS and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114833318
Molecular FormulaC14H14BrFOS
Molecular Weight329.23 g/mol
Exact Mass327.99
IUPAC Name1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C14H14BrFOS/c1-14(17,9-12-5-6-13(15)18-12)8-10-3-2-4-11(16)7-10/h2-7,17H,8-9H2,1H3
InChIKeyXNOMSAQELWDLPX-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (CID 114833318) is 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is CC(O)(Cc1cccc(F)c1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is XNOMSAQELWDLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFOS/c1-14(17,9-12-5-6-13(15)18-12)8-10-3-2-4-11(16)7-10/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 329.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114833318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).