2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine

C14H12F3N — CID 118803927

IUPAC2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(-c2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H12F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6-7,18H2
InChIKeyKRNVDGIWXYQHOX-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.27
Rot. Bonds3

About 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine

2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine (PubChem CID 118803927) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine
PubChem CID118803927
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(-c2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H12F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6-7,18H2
InChIKeyKRNVDGIWXYQHOX-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine (CID 118803927) is 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine is NCCc1ccc(-c2cccc(F)c2F)c(F)c1.
What is the InChIKey of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine?
The InChIKey is KRNVDGIWXYQHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6-7,18H2.
What are the key properties of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine?
2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 118803927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).