2,2-bis(4-fluorophenyl)ethanamine

C14H13F2N — CID 819761

IUPAC2,2-bis(4-fluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13F2N/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14H,9,17H2
InChIKeyNPESQVSQYZEASZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.06
Rot. Bonds3

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

2,2-bis(4-fluorophenyl)ethanamine (PubChem CID 819761) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)ethanamine
PubChem CID819761
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name2,2-bis(4-fluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13F2N/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14H,9,17H2
InChIKeyNPESQVSQYZEASZ-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)ethanamine?
The IUPAC name of 2,2-bis(4-fluorophenyl)ethanamine (CID 819761) is 2,2-bis(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)ethanamine?
The canonical SMILES for 2,2-bis(4-fluorophenyl)ethanamine is NCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)ethanamine?
The InChIKey is NPESQVSQYZEASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14H,9,17H2.
What are the key properties of 2,2-bis(4-fluorophenyl)ethanamine?
2,2-bis(4-fluorophenyl)ethanamine has a molecular weight of 233.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)ethanamine is sourced from PubChem (CID 819761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).