1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine

C11H15F2N — CID 84668909

IUPAC1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1C(C)(F)F
InChIInChI=1S/C11H15F2N/c1-8(14-3)9-6-4-5-7-10(9)11(2,12)13/h4-8,14H,1-3H3
InChIKeyQMRRZUUUXAANEU-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.08
Rot. Bonds3

About 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine

1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine (PubChem CID 84668909) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine
PubChem CID84668909
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1C(C)(F)F
InChIInChI=1S/C11H15F2N/c1-8(14-3)9-6-4-5-7-10(9)11(2,12)13/h4-8,14H,1-3H3
InChIKeyQMRRZUUUXAANEU-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine (CID 84668909) is 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine is CNC(C)c1ccccc1C(C)(F)F.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine?
The InChIKey is QMRRZUUUXAANEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-8(14-3)9-6-4-5-7-10(9)11(2,12)13/h4-8,14H,1-3H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine?
1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine has a molecular weight of 199.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 84668909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).