2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine

C16H16F3N — CID 104893371

IUPAC2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine
SMILESC[C@@H](NCC(F)(F)c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H16F3N/c1-12(14-9-5-6-10-15(14)17)20-11-16(18,19)13-7-3-2-4-8-13/h2-10,12,20H,11H2,1H3/t12-/m1/s1
InChIKeyJFORWZJPGLESHE-GFCCVEGCSA-N
MW279.31 g/mol
LogP4.27
Rot. Bonds5

About 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine

2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine (PubChem CID 104893371) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine
PubChem CID104893371
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine
SMILESC[C@@H](NCC(F)(F)c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H16F3N/c1-12(14-9-5-6-10-15(14)17)20-11-16(18,19)13-7-3-2-4-8-13/h2-10,12,20H,11H2,1H3/t12-/m1/s1
InChIKeyJFORWZJPGLESHE-GFCCVEGCSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(2-fluorophenyl)ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644214
2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 104893383
3-[(2,2-difluoro-2-phenylethyl)amino]butan-1-ol
CID 116789257
2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104893387
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 104893366
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760889

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine?
The IUPAC name of 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine (CID 104893371) is 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine?
The canonical SMILES for 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine is C[C@@H](NCC(F)(F)c1ccccc1)c1ccccc1F.
What is the InChIKey of 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine?
The InChIKey is JFORWZJPGLESHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16F3N/c1-12(14-9-5-6-10-15(14)17)20-11-16(18,19)13-7-3-2-4-8-13/h2-10,12,20H,11H2,1H3/t12-/m1/s1.
What are the key properties of 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine?
2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 104893371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).