1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine

C16H20F4N2 — CID 126628751

IUPAC1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESC=CCCN(C)c1c(F)c(F)c(N(C)CCC=C)c(F)c1F
InChIInChI=1S/C16H20F4N2/c1-5-7-9-21(3)15-11(17)13(19)16(14(20)12(15)18)22(4)10-8-6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeyTXZXEZLUJLTFST-UHFFFAOYSA-N
MW316.34 g/mol
LogP4.27
Rot. Bonds8

About 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine

1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 126628751) has the molecular formula C16H20F4N2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID126628751
Molecular FormulaC16H20F4N2
Molecular Weight316.34 g/mol
Exact Mass316.16
IUPAC Name1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESC=CCCN(C)c1c(F)c(F)c(N(C)CCC=C)c(F)c1F
InChIInChI=1S/C16H20F4N2/c1-5-7-9-21(3)15-11(17)13(19)16(14(20)12(15)18)22(4)10-8-6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeyTXZXEZLUJLTFST-UHFFFAOYSA-N
XLogP4.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine (CID 126628751) is 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine is C=CCCN(C)c1c(F)c(F)c(N(C)CCC=C)c(F)c1F.
What is the InChIKey of 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is TXZXEZLUJLTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2/c1-5-7-9-21(3)15-11(17)13(19)16(14(20)12(15)18)22(4)10-8-6-2/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine?
1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 316.34 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 126628751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).