4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine

C14H21F3N2 — CID 83962209

IUPAC4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2/c1-3-9-19(10-4-2)13-7-5-12(6-8-13)18-11-14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3
InChIKeyZZGUZBMAOXSCFM-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.29
Rot. Bonds7

About 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine

4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine (PubChem CID 83962209) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
PubChem CID83962209
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2/c1-3-9-19(10-4-2)13-7-5-12(6-8-13)18-11-14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3
InChIKeyZZGUZBMAOXSCFM-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine (CID 83962209) is 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine is CCCN(CCC)c1ccc(NCC(F)(F)F)cc1.
What is the InChIKey of 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The InChIKey is ZZGUZBMAOXSCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-3-9-19(10-4-2)13-7-5-12(6-8-13)18-11-14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3.
What are the key properties of 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine is sourced from PubChem (CID 83962209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).