[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine

C13H11F2NO — CID 28966240

IUPAC[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H11F2NO/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7H,8,16H2
InChIKeyZQZXDKRUILMGGB-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.22
Rot. Bonds3

About [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine

[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine (PubChem CID 28966240) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
PubChem CID28966240
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H11F2NO/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7H,8,16H2
InChIKeyZQZXDKRUILMGGB-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine (CID 28966240) is [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine is NCc1ccc(Oc2cccc(F)c2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine?
The InChIKey is ZQZXDKRUILMGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7H,8,16H2.
What are the key properties of [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine?
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine has a molecular weight of 235.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 28966240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).