2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline

C15H17F8N — CID 22637791

IUPAC2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline
SMILESCCCC(C)CN(C)c1cc(F)c(F)c(C(F)(F)C(F)(F)F)c1F
InChIInChI=1S/C15H17F8N/c1-4-5-8(2)7-24(3)10-6-9(16)12(17)11(13(10)18)14(19,20)15(21,22)23/h6,8H,4-5,7H2,1-3H3
InChIKeyNOMDHGRLIUACRU-UHFFFAOYSA-N
MW363.29 g/mol
LogP5.63
Rot. Bonds6

About 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline

2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline (PubChem CID 22637791) has the molecular formula C15H17F8N and a molecular weight of 363.29 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline.

Molecular Properties

Compound Name2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline
PubChem CID22637791
Molecular FormulaC15H17F8N
Molecular Weight363.29 g/mol
Exact Mass363.12
IUPAC Name2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline
SMILESCCCC(C)CN(C)c1cc(F)c(F)c(C(F)(F)C(F)(F)F)c1F
InChIInChI=1S/C15H17F8N/c1-4-5-8(2)7-24(3)10-6-9(16)12(17)11(13(10)18)14(19,20)15(21,22)23/h6,8H,4-5,7H2,1-3H3
InChIKeyNOMDHGRLIUACRU-UHFFFAOYSA-N
XLogP5.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)aniline
CID 22638145
2,4,5-trifluoro-N-(fluoromethyl)-N-hexyl-3-(1,1,2,2,2-pentafluoroethyl)aniline
CID 22637413
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-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
CID 22638279
boric acid;tris(butyl-(2-methylpentyl)-[2,4,5-trifluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]phosphane);tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene)
CID 173225328
N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
CID 22638194
(5-ethyl-2-methyloctyl)-hexyl-[2,4,5-trifluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]phosphanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637794
4-chloro-5-fluoro-1-N-methyl-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 66078567
N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115198408
4-N-methyl-4-N-(2-methylpentyl)benzene-1,4-diamine
CID 62264507
4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 103589931
3-methyl-1-(3,4,5-trifluorophenyl)hexan-1-one
CID 62620644

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline?
The IUPAC name of 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline (CID 22637791) is 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline.
What is the SMILES notation for 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline?
The canonical SMILES for 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline is CCCC(C)CN(C)c1cc(F)c(F)c(C(F)(F)C(F)(F)F)c1F.
What is the InChIKey of 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline?
The InChIKey is NOMDHGRLIUACRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F8N/c1-4-5-8(2)7-24(3)10-6-9(16)12(17)11(13(10)18)14(19,20)15(21,22)23/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline?
2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline has a molecular weight of 363.29 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline is sourced from PubChem (CID 22637791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).