4-butyl-2,3,5,6-tetrafluoroaniline

C10H11F4N — CID 12566451

IUPAC4-butyl-2,3,5,6-tetrafluoroaniline
SMILESCCCCc1c(F)c(F)c(N)c(F)c1F
InChIInChI=1S/C10H11F4N/c1-2-3-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-4,15H2,1H3
InChIKeyKONUOOZGCACSMW-UHFFFAOYSA-N
MW221.20 g/mol
LogP3.17
Rot. Bonds3

About 4-butyl-2,3,5,6-tetrafluoroaniline

4-butyl-2,3,5,6-tetrafluoroaniline (PubChem CID 12566451) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 4-butyl-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound Name4-butyl-2,3,5,6-tetrafluoroaniline
PubChem CID12566451
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name4-butyl-2,3,5,6-tetrafluoroaniline
SMILESCCCCc1c(F)c(F)c(N)c(F)c1F
InChIInChI=1S/C10H11F4N/c1-2-3-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-4,15H2,1H3
InChIKeyKONUOOZGCACSMW-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,3,5,6-tetrafluoroaniline?
The IUPAC name of 4-butyl-2,3,5,6-tetrafluoroaniline (CID 12566451) is 4-butyl-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for 4-butyl-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for 4-butyl-2,3,5,6-tetrafluoroaniline is CCCCc1c(F)c(F)c(N)c(F)c1F.
What is the InChIKey of 4-butyl-2,3,5,6-tetrafluoroaniline?
The InChIKey is KONUOOZGCACSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-2-3-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-4,15H2,1H3.
What are the key properties of 4-butyl-2,3,5,6-tetrafluoroaniline?
4-butyl-2,3,5,6-tetrafluoroaniline has a molecular weight of 221.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 12566451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).