2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline

C24H35F8N — CID 22637440

IUPAC2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline
SMILESCCCCCCCCCN(c1cccc(F)c1F)C(F)(F)C(F)(F)C(F)(F)CCCCCC
InChIInChI=1S/C24H35F8N/c1-3-5-7-9-10-11-13-18-33(20-16-14-15-19(25)21(20)26)24(31,32)23(29,30)22(27,28)17-12-8-6-4-2/h14-16H,3-13,17-18H2,1-2H3
InChIKeyITDHUNRPVWXTCK-UHFFFAOYSA-N
MW489.54 g/mol
LogP9.36
Rot. Bonds17

About 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline

2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline (PubChem CID 22637440) has the molecular formula C24H35F8N and a molecular weight of 489.54 g/mol. Its IUPAC name is 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline.

Molecular Properties

Compound Name2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline
PubChem CID22637440
Molecular FormulaC24H35F8N
Molecular Weight489.54 g/mol
Exact Mass489.26
IUPAC Name2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline
SMILESCCCCCCCCCN(c1cccc(F)c1F)C(F)(F)C(F)(F)C(F)(F)CCCCCC
InChIInChI=1S/C24H35F8N/c1-3-5-7-9-10-11-13-18-33(20-16-14-15-19(25)21(20)26)24(31,32)23(29,30)22(27,28)17-12-8-6-4-2/h14-16H,3-13,17-18H2,1-2H3
InChIKeyITDHUNRPVWXTCK-UHFFFAOYSA-N
XLogP9.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 59.36
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-methyl-3-(1,1,2,2,2-pentafluoroethyl)aniline
CID 22637868
N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)-2-phenylaniline
CID 141039661
2,3,4,5,6-pentafluoro-N-hexyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
CID 22637765
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
2-(2,3-difluorophenyl)octan-2-ol
CID 114059370
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
1-(1-bromoheptyl)-2,3-difluorobenzene
CID 10989939
2,3,3,4,4-pentafluoro-2-phenyldecane-1,1,1-triol
CID 151575532
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
N,N,2,3-tetrafluoroaniline
CID 25090604
1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-methylnonan-1-amine
CID 87882927
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline?
The IUPAC name of 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline (CID 22637440) is 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline.
What is the SMILES notation for 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline?
The canonical SMILES for 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline is CCCCCCCCCN(c1cccc(F)c1F)C(F)(F)C(F)(F)C(F)(F)CCCCCC.
What is the InChIKey of 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline?
The InChIKey is ITDHUNRPVWXTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F8N/c1-3-5-7-9-10-11-13-18-33(20-16-14-15-19(25)21(20)26)24(31,32)23(29,30)22(27,28)17-12-8-6-4-2/h14-16H,3-13,17-18H2,1-2H3.
What are the key properties of 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline?
2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline has a molecular weight of 489.54 g/mol, XLogP of 9.36, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-nonylaniline is sourced from PubChem (CID 22637440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).