2,2-difluoro-2-(4-fluorophenyl)ethanamine

C8H8F3N — CID 68770515

IUPAC2,2-difluoro-2-(4-fluorophenyl)ethanamine
SMILESNCC(F)(F)c1ccc(F)cc1
InChIInChI=1S/C8H8F3N/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4H,5,12H2
InChIKeyKVOPXGCKWVEEPQ-UHFFFAOYSA-N
MW175.15 g/mol
LogP1.88
Rot. Bonds2

About 2,2-difluoro-2-(4-fluorophenyl)ethanamine

2,2-difluoro-2-(4-fluorophenyl)ethanamine (PubChem CID 68770515) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(4-fluorophenyl)ethanamine
PubChem CID68770515
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name2,2-difluoro-2-(4-fluorophenyl)ethanamine
SMILESNCC(F)(F)c1ccc(F)cc1
InChIInChI=1S/C8H8F3N/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4H,5,12H2
InChIKeyKVOPXGCKWVEEPQ-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 51.88
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-(4-fluorophenyl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(4-fluorophenyl)ethanamine (CID 68770515) is 2,2-difluoro-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(4-fluorophenyl)ethanamine is NCC(F)(F)c1ccc(F)cc1.
What is the InChIKey of 2,2-difluoro-2-(4-fluorophenyl)ethanamine?
The InChIKey is KVOPXGCKWVEEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4H,5,12H2.
What are the key properties of 2,2-difluoro-2-(4-fluorophenyl)ethanamine?
2,2-difluoro-2-(4-fluorophenyl)ethanamine has a molecular weight of 175.15 g/mol, XLogP of 1.88, 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-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 68770515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).