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

C13H12BrFOS — CID 62606746

IUPAC1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Br)s1)Cc1ccccc1F
InChIInChI=1S/C13H12BrFOS/c14-13-6-5-11(17-13)8-10(16)7-9-3-1-2-4-12(9)15/h1-6,10,16H,7-8H2
InChIKeyFTJBOVLRGWZYMR-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.80
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol (PubChem CID 62606746) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol
PubChem CID62606746
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Br)s1)Cc1ccccc1F
InChIInChI=1S/C13H12BrFOS/c14-13-6-5-11(17-13)8-10(16)7-9-3-1-2-4-12(9)15/h1-6,10,16H,7-8H2
InChIKeyFTJBOVLRGWZYMR-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.80
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-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol (CID 62606746) is 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol is OC(Cc1ccc(Br)s1)Cc1ccccc1F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol?
The InChIKey is FTJBOVLRGWZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c14-13-6-5-11(17-13)8-10(16)7-9-3-1-2-4-12(9)15/h1-6,10,16H,7-8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol?
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-ol has a molecular weight of 315.21 g/mol, XLogP of 3.80, 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-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 62606746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).