2-(2,6-dimethylphenyl)-2,2-difluoroethanamine

C10H13F2N — CID 91927221

IUPAC2-(2,6-dimethylphenyl)-2,2-difluoroethanamine
SMILESCc1cccc(C)c1C(F)(F)CN
InChIInChI=1S/C10H13F2N/c1-7-4-3-5-8(2)9(7)10(11,12)6-13/h3-5H,6,13H2,1-2H3
InChIKeyOVUDHEPLXTZVTK-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.35
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine

2-(2,6-dimethylphenyl)-2,2-difluoroethanamine (PubChem CID 91927221) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-2,2-difluoroethanamine
PubChem CID91927221
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-(2,6-dimethylphenyl)-2,2-difluoroethanamine
SMILESCc1cccc(C)c1C(F)(F)CN
InChIInChI=1S/C10H13F2N/c1-7-4-3-5-8(2)9(7)10(11,12)6-13/h3-5H,6,13H2,1-2H3
InChIKeyOVUDHEPLXTZVTK-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine (CID 91927221) is 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine is Cc1cccc(C)c1C(F)(F)CN.
What is the InChIKey of 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine?
The InChIKey is OVUDHEPLXTZVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7-4-3-5-8(2)9(7)10(11,12)6-13/h3-5H,6,13H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine?
2-(2,6-dimethylphenyl)-2,2-difluoroethanamine has a molecular weight of 185.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 91927221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).