4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine

C19H15F3N2O2 — CID 19971376

IUPAC4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine
SMILESNc1ccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(N)c1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)26-16-8-3-13(4-9-16)12-1-6-15(7-2-12)25-18-10-5-14(23)11-17(18)24/h1-11H,23-24H2
InChIKeyDQEWLWPYZRSKAF-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.21
Rot. Bonds4

About 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine

4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine (PubChem CID 19971376) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine
PubChem CID19971376
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine
SMILESNc1ccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(N)c1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)26-16-8-3-13(4-9-16)12-1-6-15(7-2-12)25-18-10-5-14(23)11-17(18)24/h1-11H,23-24H2
InChIKeyDQEWLWPYZRSKAF-UHFFFAOYSA-N
XLogP5.21
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine?
The IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine (CID 19971376) is 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine.
What is the SMILES notation for 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine?
The canonical SMILES for 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine is Nc1ccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(N)c1.
What is the InChIKey of 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine?
The InChIKey is DQEWLWPYZRSKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)26-16-8-3-13(4-9-16)12-1-6-15(7-2-12)25-18-10-5-14(23)11-17(18)24/h1-11H,23-24H2.
What are the key properties of 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine?
4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine has a molecular weight of 360.34 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene-1,3-diamine is sourced from PubChem (CID 19971376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).