N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline

C11H8F9N — CID 71605503

IUPACN-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
SMILESCNc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H8F9N/c1-21-7-4-2-6(3-5-7)8(12,13)9(14,15)10(16,17)11(18,19)20/h2-5,21H,1H3
InChIKeyJGMPOFDQXGRBLP-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.65
Rot. Bonds4

About N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline

N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline (PubChem CID 71605503) has the molecular formula C11H8F9N and a molecular weight of 325.17 g/mol. Its IUPAC name is N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
PubChem CID71605503
Molecular FormulaC11H8F9N
Molecular Weight325.17 g/mol
Exact Mass325.05
IUPAC NameN-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
SMILESCNc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H8F9N/c1-21-7-4-2-6(3-5-7)8(12,13)9(14,15)10(16,17)11(18,19)20/h2-5,21H,1H3
InChIKeyJGMPOFDQXGRBLP-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline?
The IUPAC name of N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline (CID 71605503) is N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline.
What is the SMILES notation for N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline?
The canonical SMILES for N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline is CNc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline?
The InChIKey is JGMPOFDQXGRBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F9N/c1-21-7-4-2-6(3-5-7)8(12,13)9(14,15)10(16,17)11(18,19)20/h2-5,21H,1H3.
What are the key properties of N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline?
N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline has a molecular weight of 325.17 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline is sourced from PubChem (CID 71605503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).