1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol

C10H13F2NO — CID 56590496

IUPAC1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol
SMILESCN(C)c1ccc(C(O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO/c1-13(2)8-5-3-7(4-6-8)9(14)10(11)12/h3-6,9-10,14H,1-2H3
InChIKeyQMPUSLOHKKZYFV-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.05
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol

1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol (PubChem CID 56590496) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol
PubChem CID56590496
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol
SMILESCN(C)c1ccc(C(O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO/c1-13(2)8-5-3-7(4-6-8)9(14)10(11)12/h3-6,9-10,14H,1-2H3
InChIKeyQMPUSLOHKKZYFV-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol (CID 56590496) is 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol is CN(C)c1ccc(C(O)C(F)F)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol?
The InChIKey is QMPUSLOHKKZYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-13(2)8-5-3-7(4-6-8)9(14)10(11)12/h3-6,9-10,14H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol?
1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol has a molecular weight of 201.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2,2-difluoroethanol is sourced from PubChem (CID 56590496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).