2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline

C16H18F9N — CID 23123274

IUPAC2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
SMILESFCCCC(F)C(F)C(F)C(F)C(F)CN(CF)c1cc(F)ccc1F
InChIInChI=1S/C16H18F9N/c17-5-1-2-11(21)14(23)16(25)15(24)12(22)7-26(8-18)13-6-9(19)3-4-10(13)20/h3-4,6,11-12,14-16H,1-2,5,7-8H2
InChIKeyUEKZJXIERUEXMN-UHFFFAOYSA-N
MW395.31 g/mol
LogP5.14
Rot. Bonds11

About 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline

2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline (PubChem CID 23123274) has the molecular formula C16H18F9N and a molecular weight of 395.31 g/mol. Its IUPAC name is 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
PubChem CID23123274
Molecular FormulaC16H18F9N
Molecular Weight395.31 g/mol
Exact Mass395.13
IUPAC Name2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
SMILESFCCCC(F)C(F)C(F)C(F)C(F)CN(CF)c1cc(F)ccc1F
InChIInChI=1S/C16H18F9N/c17-5-1-2-11(21)14(23)16(25)15(24)12(22)7-26(8-18)13-6-9(19)3-4-10(13)20/h3-4,6,11-12,14-16H,1-2,5,7-8H2
InChIKeyUEKZJXIERUEXMN-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
CID 23123344
N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
CID 22638194
barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
CID 173311743
3-[2,5-difluoro-N-(2-methylpropyl)anilino]-2-methylpropanoic acid
CID 82319387
3-[2,5-difluoro-N-(3-methylbutyl)anilino]-2-methylpropanoic acid
CID 82319216
3-(2,5-difluoro-N-propylanilino)-2-methylpropanoic acid
CID 82317919
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene
CID 22351785
N-(3-ethylheptyl)-2,5-difluoro-N-hexylaniline
CID 18388713
2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane
CID 23123231
(2,5-difluoro-N-methylanilino)methanethiol
CID 115227749
2-[(2,5-difluoro-N-methylanilino)methyl]butan-1-ol
CID 115250646

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline?
The IUPAC name of 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline (CID 23123274) is 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline?
The canonical SMILES for 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline is FCCCC(F)C(F)C(F)C(F)C(F)CN(CF)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline?
The InChIKey is UEKZJXIERUEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F9N/c17-5-1-2-11(21)14(23)16(25)15(24)12(22)7-26(8-18)13-6-9(19)3-4-10(13)20/h3-4,6,11-12,14-16H,1-2,5,7-8H2.
What are the key properties of 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline?
2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline has a molecular weight of 395.31 g/mol, XLogP of 5.14, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline is sourced from PubChem (CID 23123274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).