2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol

C14H14BrFO2S — CID 79448268

IUPAC2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1sccc1Br)c1ccccc1F
InChIInChI=1S/C14H14BrFO2S/c15-11-5-6-19-13(11)7-14(8-17,9-18)10-3-1-2-4-12(10)16/h1-6,17-18H,7-9H2
InChIKeyRDGLCSLFOKAHTB-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.11
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol

2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol (PubChem CID 79448268) has the molecular formula C14H14BrFO2S and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
PubChem CID79448268
Molecular FormulaC14H14BrFO2S
Molecular Weight345.23 g/mol
Exact Mass343.99
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1sccc1Br)c1ccccc1F
InChIInChI=1S/C14H14BrFO2S/c15-11-5-6-19-13(11)7-14(8-17,9-18)10-3-1-2-4-12(10)16/h1-6,17-18H,7-9H2
InChIKeyRDGLCSLFOKAHTB-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917
1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol
CID 65145228
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol
CID 79007567
2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475
2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol
CID 79448193
2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507202
3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid
CID 165463784
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
1-(3-bromothiophen-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 114969770
2-(aminomethyl)-2-[(3-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508309

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol (CID 79448268) is 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol is OCC(CO)(Cc1sccc1Br)c1ccccc1F.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The InChIKey is RDGLCSLFOKAHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFO2S/c15-11-5-6-19-13(11)7-14(8-17,9-18)10-3-1-2-4-12(10)16/h1-6,17-18H,7-9H2.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol has a molecular weight of 345.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 79448268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).