1,2-dichlorobenzene;2,2,2-trifluoroethanol

C8H7Cl2F3O — CID 160821263

IUPAC1,2-dichlorobenzene;2,2,2-trifluoroethanol
SMILESClc1ccccc1Cl.OCC(F)(F)F
InChIInChI=1S/C6H4Cl2.C2H3F3O/c7-5-3-1-2-4-6(5)8;3-2(4,5)1-6/h1-4H;6H,1H2
InChIKeySFORYAGIACABSI-UHFFFAOYSA-N
MW247.04 g/mol
LogP3.53
Rot. Bonds

About 1,2-dichlorobenzene;2,2,2-trifluoroethanol

1,2-dichlorobenzene;2,2,2-trifluoroethanol (PubChem CID 160821263) has the molecular formula C8H7Cl2F3O and a molecular weight of 247.04 g/mol. Its IUPAC name is 1,2-dichlorobenzene;2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1,2-dichlorobenzene;2,2,2-trifluoroethanol
PubChem CID160821263
Molecular FormulaC8H7Cl2F3O
Molecular Weight247.04 g/mol
Exact Mass245.98
IUPAC Name1,2-dichlorobenzene;2,2,2-trifluoroethanol
SMILESClc1ccccc1Cl.OCC(F)(F)F
InChIInChI=1S/C6H4Cl2.C2H3F3O/c7-5-3-1-2-4-6(5)8;3-2(4,5)1-6/h1-4H;6H,1H2
InChIKeySFORYAGIACABSI-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1,2-dichlorobenzene
CID 70584322
2-(2,3-dichlorophenyl)-2,2-difluoroethanol
CID 130135852
1,1-bis(2-chlorophenyl)ethane-1,2-diol
CID 71341574
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
CID 106324290
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 102134587
3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 2781549
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;2,2,2-trifluoroethanol?
The IUPAC name of 1,2-dichlorobenzene;2,2,2-trifluoroethanol (CID 160821263) is 1,2-dichlorobenzene;2,2,2-trifluoroethanol.
What is the SMILES notation for 1,2-dichlorobenzene;2,2,2-trifluoroethanol?
The canonical SMILES for 1,2-dichlorobenzene;2,2,2-trifluoroethanol is Clc1ccccc1Cl.OCC(F)(F)F.
What is the InChIKey of 1,2-dichlorobenzene;2,2,2-trifluoroethanol?
The InChIKey is SFORYAGIACABSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C2H3F3O/c7-5-3-1-2-4-6(5)8;3-2(4,5)1-6/h1-4H;6H,1H2.
What are the key properties of 1,2-dichlorobenzene;2,2,2-trifluoroethanol?
1,2-dichlorobenzene;2,2,2-trifluoroethanol has a molecular weight of 247.04 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;2,2,2-trifluoroethanol is sourced from PubChem (CID 160821263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).