5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine

C23H24F2N2O — CID 145359037

IUPAC5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine
SMILESNCCCC(N)COc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H24F2N2O/c24-20-7-3-16(4-8-20)18-12-19(17-5-9-21(25)10-6-17)14-23(13-18)28-15-22(27)2-1-11-26/h3-10,12-14,22H,1-2,11,15,26-27H2
InChIKeyPZLFXSJNMRVUEK-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.74
Rot. Bonds8

About 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine

5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine (PubChem CID 145359037) has the molecular formula C23H24F2N2O and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine.

Molecular Properties

Compound Name5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine
PubChem CID145359037
Molecular FormulaC23H24F2N2O
Molecular Weight382.45 g/mol
Exact Mass382.19
IUPAC Name5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine
SMILESNCCCC(N)COc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H24F2N2O/c24-20-7-3-16(4-8-20)18-12-19(17-5-9-21(25)10-6-17)14-23(13-18)28-15-22(27)2-1-11-26/h3-10,12-14,22H,1-2,11,15,26-27H2
InChIKeyPZLFXSJNMRVUEK-UHFFFAOYSA-N
XLogP4.74
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine?
The IUPAC name of 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine (CID 145359037) is 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine.
What is the SMILES notation for 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine?
The canonical SMILES for 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine is NCCCC(N)COc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine?
The InChIKey is PZLFXSJNMRVUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O/c24-20-7-3-16(4-8-20)18-12-19(17-5-9-21(25)10-6-17)14-23(13-18)28-15-22(27)2-1-11-26/h3-10,12-14,22H,1-2,11,15,26-27H2.
What are the key properties of 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine?
5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine has a molecular weight of 382.45 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine is sourced from PubChem (CID 145359037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).