2,2,2-trichloro-1-(furan-2-yl)ethanol

C6H5Cl3O2 — CID 11356360

IUPAC2,2,2-trichloro-1-(furan-2-yl)ethanol
SMILESOC(c1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H5Cl3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H
InChIKeyLFSYXVDROBFUJN-UHFFFAOYSA-N
MW215.46 g/mol
LogP2.68
Rot. Bonds1

About 2,2,2-trichloro-1-(furan-2-yl)ethanol

2,2,2-trichloro-1-(furan-2-yl)ethanol (PubChem CID 11356360) has the molecular formula C6H5Cl3O2 and a molecular weight of 215.46 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-(furan-2-yl)ethanol
PubChem CID11356360
Molecular FormulaC6H5Cl3O2
Molecular Weight215.46 g/mol
Exact Mass213.94
IUPAC Name2,2,2-trichloro-1-(furan-2-yl)ethanol
SMILESOC(c1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H5Cl3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H
InChIKeyLFSYXVDROBFUJN-UHFFFAOYSA-N
XLogP2.68
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1,3-bis(furan-2-yl)propane-1,3-diol
CID 10105858
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
CID 7171782
1-(furan-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589665
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
1-(furan-2-yl)-2-methyl-2-nitropropan-1-ol
CID 12946482
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
2-(aminomethyl)-1-(furan-2-yl)-2-methylbutan-1-ol
CID 79135708
1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319
(1R)-3-chloro-1-(furan-2-yl)propan-1-ol
CID 67216727
N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide
CID 100948475
1-(furan-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 79045813

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(furan-2-yl)ethanol?
The IUPAC name of 2,2,2-trichloro-1-(furan-2-yl)ethanol (CID 11356360) is 2,2,2-trichloro-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-(furan-2-yl)ethanol?
The canonical SMILES for 2,2,2-trichloro-1-(furan-2-yl)ethanol is OC(c1ccco1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(furan-2-yl)ethanol?
The InChIKey is LFSYXVDROBFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H.
What are the key properties of 2,2,2-trichloro-1-(furan-2-yl)ethanol?
2,2,2-trichloro-1-(furan-2-yl)ethanol has a molecular weight of 215.46 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(furan-2-yl)ethanol is sourced from PubChem (CID 11356360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).