2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol

C11H11Cl2F4NO — CID 15572232

IUPAC2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)Cl)C(F)(F)Cl)cc(C)c1N
InChIInChI=1S/C11H11Cl2F4NO/c1-5-3-7(4-6(2)8(5)18)9(19,10(12,14)15)11(13,16)17/h3-4,19H,18H2,1-2H3
InChIKeyUWKZHUYURXRYCA-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.74
Rot. Bonds3

About 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol

2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol (PubChem CID 15572232) has the molecular formula C11H11Cl2F4NO and a molecular weight of 320.11 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol
PubChem CID15572232
Molecular FormulaC11H11Cl2F4NO
Molecular Weight320.11 g/mol
Exact Mass319.02
IUPAC Name2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)Cl)C(F)(F)Cl)cc(C)c1N
InChIInChI=1S/C11H11Cl2F4NO/c1-5-3-7(4-6(2)8(5)18)9(19,10(12,14)15)11(13,16)17/h3-4,19H,18H2,1-2H3
InChIKeyUWKZHUYURXRYCA-UHFFFAOYSA-N
XLogP3.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
2-(4-Amino-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 1275346
2-[2-Amino-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 337226
2-(4-Amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58543596
2-(2-Amino-5-tert-butylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 340177
2-(2-Amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride
CID 54601555
alpha,alpha-Bis(trifluoromethyl)-2-amino-3-iodo-5-methylbenzenemethanol
CID 11269545
2-(4-Amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 14510512
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-chloroethanol
CID 15067165
2-Amino-5-(2-chloro-1-hydroxyethyl)-3-(trifluoromethyl)benzonitrile
CID 20035158
1-(4-Amino-3,5-dimethylphenyl)-1,3-dichloro-1,2,3,3-tetrafluoropropan-2-ol
CID 20546866

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol?
The IUPAC name of 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol (CID 15572232) is 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol is Cc1cc(C(O)(C(F)(F)Cl)C(F)(F)Cl)cc(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol?
The InChIKey is UWKZHUYURXRYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F4NO/c1-5-3-7(4-6(2)8(5)18)9(19,10(12,14)15)11(13,16)17/h3-4,19H,18H2,1-2H3.
What are the key properties of 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol?
2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol has a molecular weight of 320.11 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylphenyl)-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol is sourced from PubChem (CID 15572232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).