N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline

C18H25F6N — CID 22638067

IUPACN-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline
SMILESCCCC(CC)CCC(C)CN(CF)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H25F6N/c1-4-6-12(5-2)8-7-11(3)9-25(10-19)18-16(23)14(21)13(20)15(22)17(18)24/h11-12H,4-10H2,1-3H3
InChIKeyHLQFLNMRXJPTMJ-UHFFFAOYSA-N
MW369.39 g/mol
LogP6.36
Rot. Bonds10

About N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline

N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline (PubChem CID 22638067) has the molecular formula C18H25F6N and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline.

Molecular Properties

Compound NameN-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline
PubChem CID22638067
Molecular FormulaC18H25F6N
Molecular Weight369.39 g/mol
Exact Mass369.19
IUPAC NameN-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline
SMILESCCCC(CC)CCC(C)CN(CF)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H25F6N/c1-4-6-12(5-2)8-7-11(3)9-25(10-19)18-16(23)14(21)13(20)15(22)17(18)24/h11-12H,4-10H2,1-3H3
InChIKeyHLQFLNMRXJPTMJ-UHFFFAOYSA-N
XLogP6.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
CID 22638279
6-ethyl-3-methylnonane;methane
CID 142358245
5-ethyloctan-2-ol
CID 20725141
tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637381
2,3,4,5,6-pentafluoro-N-(1-fluorobutyl)-N-(fluoromethyl)aniline
CID 22637744
4-ethylheptane;methane
CID 143165373
(5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide
CID 22637792
[(2R,5R)-5-ethyl-2-methyloctyl]benzene
CID 3085733
CID 160839086
CID 160839086
4-ethyl-1-fluoroheptane
CID 174734694
11-ethyl-2,5,7-trimethyltetradecane
CID 123549571
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline?
The IUPAC name of N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline (CID 22638067) is N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline.
What is the SMILES notation for N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline?
The canonical SMILES for N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline is CCCC(CC)CCC(C)CN(CF)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline?
The InChIKey is HLQFLNMRXJPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F6N/c1-4-6-12(5-2)8-7-11(3)9-25(10-19)18-16(23)14(21)13(20)15(22)17(18)24/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline?
N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline has a molecular weight of 369.39 g/mol, XLogP of 6.36, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline is sourced from PubChem (CID 22638067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).