2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine

C10H10F5N — CID 84736788

IUPAC2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(F)(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H10F5N/c1-16-6-9(12,10(13,14)15)7-2-4-8(11)5-3-7/h2-5,16H,6H2,1H3
InChIKeyLXHXJXLJMZZUGK-UHFFFAOYSA-N
MW239.19 g/mol
LogP2.77
Rot. Bonds3

About 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine

2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 84736788) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID84736788
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(F)(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H10F5N/c1-16-6-9(12,10(13,14)15)7-2-4-8(11)5-3-7/h2-5,16H,6H2,1H3
InChIKeyLXHXJXLJMZZUGK-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine 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 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine (CID 84736788) is 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine is CNCC(F)(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is LXHXJXLJMZZUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c1-16-6-9(12,10(13,14)15)7-2-4-8(11)5-3-7/h2-5,16H,6H2,1H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine?
2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 239.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 84736788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).