2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol

C10H7Cl3OS2 — CID 134097787

IUPAC2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol
SMILESOC(c1ccc(-c2cccs2)s1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H7Cl3OS2/c11-10(12,13)9(14)8-4-3-7(16-8)6-2-1-5-15-6/h1-5,9,14H
InChIKeyCHVFCNARKALPQX-UHFFFAOYSA-N
MW313.66 g/mol
LogP4.88
Rot. Bonds2

About 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol

2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol (PubChem CID 134097787) has the molecular formula C10H7Cl3OS2 and a molecular weight of 313.66 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol
PubChem CID134097787
Molecular FormulaC10H7Cl3OS2
Molecular Weight313.66 g/mol
Exact Mass311.90
IUPAC Name2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol
SMILESOC(c1ccc(-c2cccs2)s1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H7Cl3OS2/c11-10(12,13)9(14)8-4-3-7(16-8)6-2-1-5-15-6/h1-5,9,14H
InChIKeyCHVFCNARKALPQX-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.66
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-thiophen-2-ylthiophen-2-yl)ethanol
CID 14954981
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene
CID 11081700
(1R)-N-methyl-1-(5-thiophen-2-ylthiophen-2-yl)ethanamine
CID 96704192
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(1-fluoroprop-2-enyl)-5-thiophen-2-ylthiophene
CID 91241555
3-amino-3-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propanamide
CID 170875791
N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 126850873
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852656
5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852663
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136775

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol?
The IUPAC name of 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol (CID 134097787) is 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol?
The canonical SMILES for 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol is OC(c1ccc(-c2cccs2)s1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol?
The InChIKey is CHVFCNARKALPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3OS2/c11-10(12,13)9(14)8-4-3-7(16-8)6-2-1-5-15-6/h1-5,9,14H.
What are the key properties of 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol?
2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol has a molecular weight of 313.66 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol is sourced from PubChem (CID 134097787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).