2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol

C12H9ClFIOS — CID 114030376

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1ccc(F)cc1I
InChIInChI=1S/C12H9ClFIOS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11,16H,6H2
InChIKeyWAPAKYNXJZPWGX-UHFFFAOYSA-N
MW382.63 g/mol
LogP4.42
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol

2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol (PubChem CID 114030376) has the molecular formula C12H9ClFIOS and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol
PubChem CID114030376
Molecular FormulaC12H9ClFIOS
Molecular Weight382.63 g/mol
Exact Mass381.91
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1ccc(F)cc1I
InChIInChI=1S/C12H9ClFIOS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11,16H,6H2
InChIKeyWAPAKYNXJZPWGX-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

1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351112
2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 65148256
1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790809
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786093
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085
[1-(4-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105217959

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol (CID 114030376) is 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol is OC(Cc1ccc(Cl)s1)c1ccc(F)cc1I.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol?
The InChIKey is WAPAKYNXJZPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFIOS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11,16H,6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol?
2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)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-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol is sourced from PubChem (CID 114030376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).