2,3,4,5,6-pentafluoro-N-pentylaniline

C11H12F5N — CID 29046640

IUPAC2,3,4,5,6-pentafluoro-N-pentylaniline
SMILESCCCCCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12F5N/c1-2-3-4-5-17-11-9(15)7(13)6(12)8(14)10(11)16/h17H,2-5H2,1H3
InChIKeyGKUUAANSXHOVRR-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.98
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-pentylaniline

2,3,4,5,6-pentafluoro-N-pentylaniline (PubChem CID 29046640) has the molecular formula C11H12F5N and a molecular weight of 253.21 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-pentylaniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-pentylaniline
PubChem CID29046640
Molecular FormulaC11H12F5N
Molecular Weight253.21 g/mol
Exact Mass253.09
IUPAC Name2,3,4,5,6-pentafluoro-N-pentylaniline
SMILESCCCCCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12F5N/c1-2-3-4-5-17-11-9(15)7(13)6(12)8(14)10(11)16/h17H,2-5H2,1H3
InChIKeyGKUUAANSXHOVRR-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.98
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 2,3,4,5,6-pentafluoro-N-pentylaniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-pentylaniline (CID 29046640) is 2,3,4,5,6-pentafluoro-N-pentylaniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-pentylaniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-pentylaniline is CCCCCNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-pentylaniline?
The InChIKey is GKUUAANSXHOVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N/c1-2-3-4-5-17-11-9(15)7(13)6(12)8(14)10(11)16/h17H,2-5H2,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-pentylaniline?
2,3,4,5,6-pentafluoro-N-pentylaniline has a molecular weight of 253.21 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-pentylaniline is sourced from PubChem (CID 29046640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).