1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine

C11H14F3NO — CID 84696551

IUPAC1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(C(C)(F)F)cc(F)c1OC
InChIInChI=1S/C11H14F3NO/c1-11(13,14)8-4-7(6-15-2)10(16-3)9(12)5-8/h4-5,15H,6H2,1-3H3
InChIKeyGZNOYLLQQVKQKY-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.67
Rot. Bonds4

About 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine

1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine (PubChem CID 84696551) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine
PubChem CID84696551
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(C(C)(F)F)cc(F)c1OC
InChIInChI=1S/C11H14F3NO/c1-11(13,14)8-4-7(6-15-2)10(16-3)9(12)5-8/h4-5,15H,6H2,1-3H3
InChIKeyGZNOYLLQQVKQKY-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine (CID 84696551) is 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine is CNCc1cc(C(C)(F)F)cc(F)c1OC.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine?
The InChIKey is GZNOYLLQQVKQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-11(13,14)8-4-7(6-15-2)10(16-3)9(12)5-8/h4-5,15H,6H2,1-3H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine?
1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine has a molecular weight of 233.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 84696551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).