1-(3,5-difluorophenyl)ethanamine

C8H9F2N — CID 2783196

IUPAC1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)c1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3
InChIKeyXTIXPIMMHGCRJD-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.98
Rot. Bonds1

About 1-(3,5-difluorophenyl)ethanamine

1-(3,5-difluorophenyl)ethanamine (PubChem CID 2783196) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)ethanamine
PubChem CID2783196
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)c1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3
InChIKeyXTIXPIMMHGCRJD-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)ethanamine (CID 2783196) is 1-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)ethanamine is CC(N)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)ethanamine?
The InChIKey is XTIXPIMMHGCRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)ethanamine?
1-(3,5-difluorophenyl)ethanamine has a molecular weight of 157.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 2783196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).