2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol

C10H13F2NO — CID 58543601

IUPAC2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol
SMILESCc1cc(N)c(C(F)(F)CO)cc1C
InChIInChI=1S/C10H13F2NO/c1-6-3-8(10(11,12)5-14)9(13)4-7(6)2/h3-4,14H,5,13H2,1-2H3
InChIKeyRRPQSOUCHXIQDP-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.97
Rot. Bonds2

About 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol

2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol (PubChem CID 58543601) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol
PubChem CID58543601
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol
SMILESCc1cc(N)c(C(F)(F)CO)cc1C
InChIInChI=1S/C10H13F2NO/c1-6-3-8(10(11,12)5-14)9(13)4-7(6)2/h3-4,14H,5,13H2,1-2H3
InChIKeyRRPQSOUCHXIQDP-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol (CID 58543601) is 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol is Cc1cc(N)c(C(F)(F)CO)cc1C.
What is the InChIKey of 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol?
The InChIKey is RRPQSOUCHXIQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6-3-8(10(11,12)5-14)9(13)4-7(6)2/h3-4,14H,5,13H2,1-2H3.
What are the key properties of 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol?
2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol has a molecular weight of 201.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dimethylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 58543601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).