2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol

C10H11ClF2O — CID 112575182

IUPAC2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol
SMILESCc1cc(C)cc(C(O)C(F)(F)Cl)c1
InChIInChI=1S/C10H11ClF2O/c1-6-3-7(2)5-8(4-6)9(14)10(11,12)13/h3-5,9,14H,1-2H3
InChIKeyIRDPLIANZBXKNK-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol

2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol (PubChem CID 112575182) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol
PubChem CID112575182
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol
SMILESCc1cc(C)cc(C(O)C(F)(F)Cl)c1
InChIInChI=1S/C10H11ClF2O/c1-6-3-7(2)5-8(4-6)9(14)10(11,12)13/h3-5,9,14H,1-2H3
InChIKeyIRDPLIANZBXKNK-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanol
CID 112575230
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol
CID 112575331
1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
CID 64565140
1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 114979613
1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752542
tetrakis((3,5-dimethylphenyl)methanediol);titanium;dihydrate
CID 168793686
[3-(dihydroxymethyl)-5-methylphenyl]methanediol
CID 20583677
1-(3-amino-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171861773
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 114979573
1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol
CID 134225298
2-chloro-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol (CID 112575182) is 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol is Cc1cc(C)cc(C(O)C(F)(F)Cl)c1.
What is the InChIKey of 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol?
The InChIKey is IRDPLIANZBXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c1-6-3-7(2)5-8(4-6)9(14)10(11,12)13/h3-5,9,14H,1-2H3.
What are the key properties of 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol?
2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol has a molecular weight of 220.65 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 112575182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).