1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol

C13H12ClFOS — CID 103047510

IUPAC1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C13H12ClFOS/c1-13(16,12-3-2-6-17-12)8-9-7-10(14)4-5-11(9)15/h2-7,16H,8H2,1H3
InChIKeyGLWBDXYWJVQSFT-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.99
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol

1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 103047510) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
PubChem CID103047510
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C13H12ClFOS/c1-13(16,12-3-2-6-17-12)8-9-7-10(14)4-5-11(9)15/h2-7,16H,8H2,1H3
InChIKeyGLWBDXYWJVQSFT-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopropyl(4-fluorophenyl)thiophen-2-ylmethanol
CID 285500
3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanol
CID 2768269
1-Phenyl-1-(2-thienyl)ethan-1-ol
CID 4259300
2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 103043664
2-(5-Chloro-2-fluorophenyl)-1-thiophen-3-ylethanol
CID 103047544
2-(5-Chloro-2-fluorophenyl)-1-thiophen-2-ylethanol
CID 103047550
2-(5-Chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 103047593
3-[(5-Chloro-2-fluorophenyl)methyl]thiolan-3-ol
CID 103047691
1-(5-Tert-butylthiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047725
1-(3-Bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047728
1-(4-Chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol
CID 146163388
(5-Chlorothiophen-2-yl)-phenylmethanol
CID 20867537

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol (CID 103047510) is 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol is CC(O)(Cc1cc(Cl)ccc1F)c1cccs1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is GLWBDXYWJVQSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c1-13(16,12-3-2-6-17-12)8-9-7-10(14)4-5-11(9)15/h2-7,16H,8H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol has a molecular weight of 270.76 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 103047510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).