2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol

C12H9ClFIOS — CID 79691005

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)c1csc(I)c1
InChIInChI=1S/C12H9ClFIOS/c13-9-2-1-3-10(14)8(9)5-11(16)7-4-12(15)17-6-7/h1-4,6,11,16H,5H2
InChIKeyVJPNINSMUUQGHV-UHFFFAOYSA-N
MW382.63 g/mol
LogP4.42
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol (PubChem CID 79691005) has the molecular formula C12H9ClFIOS and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol
PubChem CID79691005
Molecular FormulaC12H9ClFIOS
Molecular Weight382.63 g/mol
Exact Mass381.91
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)c1csc(I)c1
InChIInChI=1S/C12H9ClFIOS/c13-9-2-1-3-10(14)8(9)5-11(16)7-4-12(15)17-6-7/h1-4,6,11,16H,5H2
InChIKeyVJPNINSMUUQGHV-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 63019201
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CID 112642524
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
CID 55144841
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 61083005
2-(2-chloro-6-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 61087611
2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol
CID 115833911
2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
CID 63410788
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol (CID 79691005) is 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol is OC(Cc1c(F)cccc1Cl)c1csc(I)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol?
The InChIKey is VJPNINSMUUQGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFIOS/c13-9-2-1-3-10(14)8(9)5-11(16)7-4-12(15)17-6-7/h1-4,6,11,16H,5H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol has a molecular weight of 382.63 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol is sourced from PubChem (CID 79691005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).