N-decyl-4-(trifluoromethyl)aniline

C17H26F3N — CID 63488784

IUPACN-decyl-4-(trifluoromethyl)aniline
SMILESCCCCCCCCCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-9-14-21-16-12-10-15(11-13-16)17(18,19)20/h10-13,21H,2-9,14H2,1H3
InChIKeyZSLHLHQRAOYVGJ-UHFFFAOYSA-N
MW301.40 g/mol
LogP6.26
Rot. Bonds10

About N-decyl-4-(trifluoromethyl)aniline

N-decyl-4-(trifluoromethyl)aniline (PubChem CID 63488784) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N-decyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-decyl-4-(trifluoromethyl)aniline
PubChem CID63488784
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-decyl-4-(trifluoromethyl)aniline
SMILESCCCCCCCCCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-9-14-21-16-12-10-15(11-13-16)17(18,19)20/h10-13,21H,2-9,14H2,1H3
InChIKeyZSLHLHQRAOYVGJ-UHFFFAOYSA-N
XLogP6.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline
CID 46941334
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
N-heptyl-4-(trifluoromethoxy)aniline
CID 43129251
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
CID 62648259
N-hept-6-enyl-4-(trifluoromethyl)aniline
CID 107006448
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N-nonadecylaniline
CID 54509054
N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 134216743

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-decyl-4-(trifluoromethyl)aniline (CID 63488784) is N-decyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-decyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-decyl-4-(trifluoromethyl)aniline is CCCCCCCCCCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-decyl-4-(trifluoromethyl)aniline?
The InChIKey is ZSLHLHQRAOYVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-9-14-21-16-12-10-15(11-13-16)17(18,19)20/h10-13,21H,2-9,14H2,1H3.
What are the key properties of N-decyl-4-(trifluoromethyl)aniline?
N-decyl-4-(trifluoromethyl)aniline has a molecular weight of 301.40 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 63488784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).