2-(2,3-dichlorophenyl)-2,2-difluoroethanol

C8H6Cl2F2O — CID 130135852

IUPAC2-(2,3-dichlorophenyl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2F2O/c9-6-3-1-2-5(7(6)10)8(11,12)4-13/h1-3,13H,4H2
InChIKeyQFZYTIYOYTVTSH-UHFFFAOYSA-N
MW227.04 g/mol
LogP3.08
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-2,2-difluoroethanol

2-(2,3-dichlorophenyl)-2,2-difluoroethanol (PubChem CID 130135852) has the molecular formula C8H6Cl2F2O and a molecular weight of 227.04 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2,2-difluoroethanol
PubChem CID130135852
Molecular FormulaC8H6Cl2F2O
Molecular Weight227.04 g/mol
Exact Mass225.98
IUPAC Name2-(2,3-dichlorophenyl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2F2O/c9-6-3-1-2-5(7(6)10)8(11,12)4-13/h1-3,13H,4H2
InChIKeyQFZYTIYOYTVTSH-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844
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2-(2,3-dichlorophenyl)-2-fluoropropan-1-amine
CID 112565101
1,2-dichlorobenzene;2,2,2-trifluoroethanol
CID 160821263
2-(2-bromophenyl)-2,2-difluoroethanol
CID 91926417
2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol
CID 68633645
2,2-bis(2,3-dichlorophenyl)propanediamide
CID 69106750
1,1-bis(2-chlorophenyl)ethane-1,2-diol
CID 71341574
2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
CID 114079755
2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 57455746
3-(2,6-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81411469
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-2,2-difluoroethanol (CID 130135852) is 2-(2,3-dichlorophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2,2-difluoroethanol is OCC(F)(F)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2,2-difluoroethanol?
The InChIKey is QFZYTIYOYTVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2O/c9-6-3-1-2-5(7(6)10)8(11,12)4-13/h1-3,13H,4H2.
What are the key properties of 2-(2,3-dichlorophenyl)-2,2-difluoroethanol?
2-(2,3-dichlorophenyl)-2,2-difluoroethanol has a molecular weight of 227.04 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2,2-difluoroethanol is sourced from PubChem (CID 130135852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).