2,3,5,6-tetrafluoro-N-nonan-2-ylaniline

C15H21F4N — CID 107643577

IUPAC2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H21F4N/c1-3-4-5-6-7-8-10(2)20-15-13(18)11(16)9-12(17)14(15)19/h9-10,20H,3-8H2,1-2H3
InChIKeyNXXNJJVRTXUXGT-UHFFFAOYSA-N
MW291.33 g/mol
LogP5.40
Rot. Bonds8

About 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline

2,3,5,6-tetrafluoro-N-nonan-2-ylaniline (PubChem CID 107643577) has the molecular formula C15H21F4N and a molecular weight of 291.33 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
PubChem CID107643577
Molecular FormulaC15H21F4N
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Name2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H21F4N/c1-3-4-5-6-7-8-10(2)20-15-13(18)11(16)9-12(17)14(15)19/h9-10,20H,3-8H2,1-2H3
InChIKeyNXXNJJVRTXUXGT-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.33
LogP ≤ 55.40
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'}

Analyze 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-octan-2-ylaniline
CID 11356906
N-butan-2-yl-2,3,5,6-tetrafluoroaniline
CID 107644089
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2-chloro-4,6-difluoro-N-nonan-2-ylaniline
CID 83081084
2-chloro-4,6-difluoro-N-heptan-2-ylaniline
CID 83081813
3,5-difluoro-4-(octan-2-ylamino)benzenecarbothioamide
CID 81285443
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794
2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine
CID 62196418
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine
CID 107643986
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline (CID 107643577) is 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline?
The InChIKey is NXXNJJVRTXUXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N/c1-3-4-5-6-7-8-10(2)20-15-13(18)11(16)9-12(17)14(15)19/h9-10,20H,3-8H2,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-N-nonan-2-ylaniline?
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline has a molecular weight of 291.33 g/mol, XLogP of 5.40, 8 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-nonan-2-ylaniline is sourced from PubChem (CID 107643577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).