N-(fluoromethyl)-N-hexylaniline

C13H20FN — CID 22637345

IUPACN-(fluoromethyl)-N-hexylaniline
SMILESCCCCCCN(CF)c1ccccc1
InChIInChI=1S/C13H20FN/c1-2-3-4-8-11-15(12-14)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyNWDWJXHZWVGPJT-UHFFFAOYSA-N
MW209.31 g/mol
LogP4.00
Rot. Bonds7

About N-(fluoromethyl)-N-hexylaniline

N-(fluoromethyl)-N-hexylaniline (PubChem CID 22637345) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(fluoromethyl)-N-hexylaniline.

Molecular Properties

Compound NameN-(fluoromethyl)-N-hexylaniline
PubChem CID22637345
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-(fluoromethyl)-N-hexylaniline
SMILESCCCCCCN(CF)c1ccccc1
InChIInChI=1S/C13H20FN/c1-2-3-4-8-11-15(12-14)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyNWDWJXHZWVGPJT-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
butane;N-octyl-N-phenylaniline
CID 175431375
N-heptyl-N-methylaniline
CID 54015540
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
3-(N-hexylanilino)propanethioamide
CID 29006609
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
4-fluoro-N,N-dioctylaniline
CID 91747748
N-dodecyl-N-phenylhydroxylamine
CID 159931126
2-(N-decylanilino)ethyl acetate
CID 70658915
3-(dioctylamino)phenol
CID 15734569

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-hexylaniline?
The IUPAC name of N-(fluoromethyl)-N-hexylaniline (CID 22637345) is N-(fluoromethyl)-N-hexylaniline.
What is the SMILES notation for N-(fluoromethyl)-N-hexylaniline?
The canonical SMILES for N-(fluoromethyl)-N-hexylaniline is CCCCCCN(CF)c1ccccc1.
What is the InChIKey of N-(fluoromethyl)-N-hexylaniline?
The InChIKey is NWDWJXHZWVGPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-2-3-4-8-11-15(12-14)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3.
What are the key properties of N-(fluoromethyl)-N-hexylaniline?
N-(fluoromethyl)-N-hexylaniline has a molecular weight of 209.31 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-hexylaniline is sourced from PubChem (CID 22637345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).