1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol

C13H11BrF2OS — CID 62607647

IUPAC1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol
SMILESOC(Cc1cc(F)cc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C13H11BrF2OS/c14-13-2-1-12(18-13)7-11(17)5-8-3-9(15)6-10(16)4-8/h1-4,6,11,17H,5,7H2
InChIKeyOBRSJXDGGYMGAP-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.93
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol (PubChem CID 62607647) has the molecular formula C13H11BrF2OS and a molecular weight of 333.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol
PubChem CID62607647
Molecular FormulaC13H11BrF2OS
Molecular Weight333.20 g/mol
Exact Mass331.97
IUPAC Name1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol
SMILESOC(Cc1cc(F)cc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C13H11BrF2OS/c14-13-2-1-12(18-13)7-11(17)5-8-3-9(15)6-10(16)4-8/h1-4,6,11,17H,5,7H2
InChIKeyOBRSJXDGGYMGAP-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.93
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-(3,5-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol (CID 62607647) is 1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol is OC(Cc1cc(F)cc(F)c1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol?
The InChIKey is OBRSJXDGGYMGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2OS/c14-13-2-1-12(18-13)7-11(17)5-8-3-9(15)6-10(16)4-8/h1-4,6,11,17H,5,7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol?
1-(5-bromothiophen-2-yl)-3-(3,5-difluorophenyl)propan-2-ol has a molecular weight of 333.20 g/mol, XLogP of 3.93, 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-(3,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 62607647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).