2,2-difluoro-2-phenylethanamine

C8H9F2N — CID 12635529

IUPAC2,2-difluoro-2-phenylethanamine
SMILESNCC(F)(F)c1ccccc1
InChIInChI=1S/C8H9F2N/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKeyFZUZAXBAUSXGAV-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.74
Rot. Bonds2

About 2,2-difluoro-2-phenylethanamine

2,2-difluoro-2-phenylethanamine (PubChem CID 12635529) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 2,2-difluoro-2-phenylethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-phenylethanamine
PubChem CID12635529
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name2,2-difluoro-2-phenylethanamine
SMILESNCC(F)(F)c1ccccc1
InChIInChI=1S/C8H9F2N/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKeyFZUZAXBAUSXGAV-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenylethanamine?
The IUPAC name of 2,2-difluoro-2-phenylethanamine (CID 12635529) is 2,2-difluoro-2-phenylethanamine.
What is the SMILES notation for 2,2-difluoro-2-phenylethanamine?
The canonical SMILES for 2,2-difluoro-2-phenylethanamine is NCC(F)(F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenylethanamine?
The InChIKey is FZUZAXBAUSXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H,6,11H2.
What are the key properties of 2,2-difluoro-2-phenylethanamine?
2,2-difluoro-2-phenylethanamine has a molecular weight of 157.16 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenylethanamine is sourced from PubChem (CID 12635529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).