2,3,5,6-tetrafluoro-N-pent-4-enylaniline

C11H11F4N — CID 107644383

IUPAC2,3,5,6-tetrafluoro-N-pent-4-enylaniline
SMILESC=CCCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H11F4N/c1-2-3-4-5-16-11-9(14)7(12)6-8(13)10(11)15/h2,6,16H,1,3-5H2
InChIKeyLZSOBUIGEZYBGV-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.62
Rot. Bonds5

About 2,3,5,6-tetrafluoro-N-pent-4-enylaniline

2,3,5,6-tetrafluoro-N-pent-4-enylaniline (PubChem CID 107644383) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-pent-4-enylaniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-pent-4-enylaniline
PubChem CID107644383
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name2,3,5,6-tetrafluoro-N-pent-4-enylaniline
SMILESC=CCCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H11F4N/c1-2-3-4-5-16-11-9(14)7(12)6-8(13)10(11)15/h2,6,16H,1,3-5H2
InChIKeyLZSOBUIGEZYBGV-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2,3,5,6-tetrafluoro-N-pent-4-enylaniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-pent-4-enylaniline (CID 107644383) is 2,3,5,6-tetrafluoro-N-pent-4-enylaniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-pent-4-enylaniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-pent-4-enylaniline is C=CCCCNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-pent-4-enylaniline?
The InChIKey is LZSOBUIGEZYBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c1-2-3-4-5-16-11-9(14)7(12)6-8(13)10(11)15/h2,6,16H,1,3-5H2.
What are the key properties of 2,3,5,6-tetrafluoro-N-pent-4-enylaniline?
2,3,5,6-tetrafluoro-N-pent-4-enylaniline has a molecular weight of 233.21 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-pent-4-enylaniline is sourced from PubChem (CID 107644383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).