[4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine

C13H10ClF2NO — CID 58487907

IUPAC[4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(Oc2ccc(Cl)cc2F)c(F)c1
InChIInChI=1S/C13H10ClF2NO/c14-9-2-4-13(11(16)6-9)18-12-3-1-8(7-17)5-10(12)15/h1-6H,7,17H2
InChIKeyHOARZRPYZWNJKQ-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.87
Rot. Bonds3

About [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine

[4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine (PubChem CID 58487907) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine
PubChem CID58487907
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name[4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(Oc2ccc(Cl)cc2F)c(F)c1
InChIInChI=1S/C13H10ClF2NO/c14-9-2-4-13(11(16)6-9)18-12-3-1-8(7-17)5-10(12)15/h1-6H,7,17H2
InChIKeyHOARZRPYZWNJKQ-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine (CID 58487907) is [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine is NCc1ccc(Oc2ccc(Cl)cc2F)c(F)c1.
What is the InChIKey of [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine?
The InChIKey is HOARZRPYZWNJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-9-2-4-13(11(16)6-9)18-12-3-1-8(7-17)5-10(12)15/h1-6H,7,17H2.
What are the key properties of [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine?
[4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine has a molecular weight of 269.68 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-fluorophenoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 58487907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).