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

C24H37F6N — CID 23123344

IUPACN-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
SMILESCCCCC(CC)CCN(CC(F)C(F)C(F)C(F)C(F)CCCF)c1ccccc1
InChIInChI=1S/C24H37F6N/c1-3-5-10-18(4-2)14-16-31(19-11-7-6-8-12-19)17-21(27)23(29)24(30)22(28)20(26)13-9-15-25/h6-8,11-12,18,20-24H,3-5,9-10,13-17H2,1-2H3
InChIKeyVWPHGSDGYRWBKH-UHFFFAOYSA-N
MW453.56 g/mol
LogP7.54
Rot. Bonds17

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

N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline (PubChem CID 23123344) has the molecular formula C24H37F6N and a molecular weight of 453.56 g/mol. Its IUPAC name is N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline.

Molecular Properties

Compound NameN-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
PubChem CID23123344
Molecular FormulaC24H37F6N
Molecular Weight453.56 g/mol
Exact Mass453.28
IUPAC NameN-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
SMILESCCCCC(CC)CCN(CC(F)C(F)C(F)C(F)C(F)CCCF)c1ccccc1
InChIInChI=1S/C24H37F6N/c1-3-5-10-18(4-2)14-16-31(19-11-7-6-8-12-19)17-21(27)23(29)24(30)22(28)20(26)13-9-15-25/h6-8,11-12,18,20-24H,3-5,9-10,13-17H2,1-2H3
InChIKeyVWPHGSDGYRWBKH-UHFFFAOYSA-N
XLogP7.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.56
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline?
The IUPAC name of N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline (CID 23123344) is N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline.
What is the SMILES notation for N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline?
The canonical SMILES for N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline is CCCCC(CC)CCN(CC(F)C(F)C(F)C(F)C(F)CCCF)c1ccccc1.
What is the InChIKey of N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline?
The InChIKey is VWPHGSDGYRWBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F6N/c1-3-5-10-18(4-2)14-16-31(19-11-7-6-8-12-19)17-21(27)23(29)24(30)22(28)20(26)13-9-15-25/h6-8,11-12,18,20-24H,3-5,9-10,13-17H2,1-2H3.
What are the key properties of N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline?
N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline has a molecular weight of 453.56 g/mol, XLogP of 7.54, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline is sourced from PubChem (CID 23123344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).