N-butyl-2,3,4,5,6-pentafluoroaniline

C10H10F5N — CID 28514309

IUPACN-butyl-2,3,4,5,6-pentafluoroaniline
SMILESCCCCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5N/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h16H,2-4H2,1H3
InChIKeyNJTSTOQWPJJSLU-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.59
Rot. Bonds4

About N-butyl-2,3,4,5,6-pentafluoroaniline

N-butyl-2,3,4,5,6-pentafluoroaniline (PubChem CID 28514309) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is N-butyl-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-butyl-2,3,4,5,6-pentafluoroaniline
PubChem CID28514309
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC NameN-butyl-2,3,4,5,6-pentafluoroaniline
SMILESCCCCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5N/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h16H,2-4H2,1H3
InChIKeyNJTSTOQWPJJSLU-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.59
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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-butyl-2,3,4,5,6-pentafluoroaniline (CID 28514309) is N-butyl-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-butyl-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-butyl-2,3,4,5,6-pentafluoroaniline is CCCCNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-butyl-2,3,4,5,6-pentafluoroaniline?
The InChIKey is NJTSTOQWPJJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h16H,2-4H2,1H3.
What are the key properties of N-butyl-2,3,4,5,6-pentafluoroaniline?
N-butyl-2,3,4,5,6-pentafluoroaniline has a molecular weight of 239.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 28514309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).