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

C13H12ClFOS — CID 55144841

IUPAC1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFOS/c14-12-2-1-3-13(15)11(12)7-10(16)6-9-4-5-17-8-9/h1-5,8,10,16H,6-7H2
InChIKeyJQCBTVCWKYRRIT-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.69
Rot. Bonds4

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

1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 55144841) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
PubChem CID55144841
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFOS/c14-12-2-1-3-13(15)11(12)7-10(16)6-9-4-5-17-8-9/h1-5,8,10,16H,6-7H2
InChIKeyJQCBTVCWKYRRIT-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 55144449
3-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 63543941
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
CID 82078369
1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642524
2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol
CID 79691005
2-(2-chloro-6-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 61087611
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
[1-(2,6-difluorophenyl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105297672

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol (CID 55144841) is 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol is OC(Cc1ccsc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is JQCBTVCWKYRRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c14-12-2-1-3-13(15)11(12)7-10(16)6-9-4-5-17-8-9/h1-5,8,10,16H,6-7H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol?
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 270.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 55144841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).