1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol

C13H12BrFOS — CID 114885636

IUPAC1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1c(F)cccc1Br
InChIInChI=1S/C13H12BrFOS/c14-10-2-1-3-11(15)13(10)12(16)5-4-9-6-7-17-8-9/h1-3,6-8,12,16H,4-5H2
InChIKeyQTWPNRCNYKJBRV-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.32
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol

1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 114885636) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
PubChem CID114885636
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1c(F)cccc1Br
InChIInChI=1S/C13H12BrFOS/c14-10-2-1-3-11(15)13(10)12(16)5-4-9-6-7-17-8-9/h1-3,6-8,12,16H,4-5H2
InChIKeyQTWPNRCNYKJBRV-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 114885667
(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanol
CID 114885783
1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097833
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114885453
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
CID 131172063
[1-(2-bromophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105208687

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol (CID 114885636) is 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is QTWPNRCNYKJBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c14-10-2-1-3-11(15)13(10)12(16)5-4-9-6-7-17-8-9/h1-3,6-8,12,16H,4-5H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol?
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 315.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 114885636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).