[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine

C13H11F2NO — CID 79516548

IUPAC[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
SMILESNCc1c(F)cccc1Oc1ccccc1F
InChIInChI=1S/C13H11F2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2
InChIKeySHIGDEZGLHJXOX-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.22
Rot. Bonds3

About [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine

[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine (PubChem CID 79516548) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
PubChem CID79516548
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
SMILESNCc1c(F)cccc1Oc1ccccc1F
InChIInChI=1S/C13H11F2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2
InChIKeySHIGDEZGLHJXOX-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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Related Compounds

[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243
3-(aminomethyl)-4-(2-fluorophenoxy)aniline
CID 174383451
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine (CID 79516548) is [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine is NCc1c(F)cccc1Oc1ccccc1F.
What is the InChIKey of [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine?
The InChIKey is SHIGDEZGLHJXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2.
What are the key properties of [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine?
[2-fluoro-6-(2-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 [2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 79516548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).