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

C13H12BrFOS — CID 65145228

IUPAC1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1sccc1Br)c1cccc(F)c1
InChIInChI=1S/C13H12BrFOS/c1-13(16,8-12-11(14)5-6-17-12)9-3-2-4-10(15)7-9/h2-7,16H,8H2,1H3
InChIKeyRNPWQXQZPXJOFO-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.10
Rot. Bonds3

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

1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol (PubChem CID 65145228) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol
PubChem CID65145228
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1sccc1Br)c1cccc(F)c1
InChIInChI=1S/C13H12BrFOS/c1-13(16,8-12-11(14)5-6-17-12)9-3-2-4-10(15)7-9/h2-7,16H,8H2,1H3
InChIKeyRNPWQXQZPXJOFO-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
CID 65479485
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
N-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-fluoroaniline
CID 63457156
1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol
CID 65144887
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070207
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol (CID 65145228) is 1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol is CC(O)(Cc1sccc1Br)c1cccc(F)c1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol?
The InChIKey is RNPWQXQZPXJOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c1-13(16,8-12-11(14)5-6-17-12)9-3-2-4-10(15)7-9/h2-7,16H,8H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol?
1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol has a molecular weight of 315.21 g/mol, XLogP of 4.10, 3 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)-2-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 65145228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).