N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline

C13H17F4N — CID 63462098

IUPACN-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
SMILESCCC(CC)CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H17F4N/c1-3-9(4-2)8-18-12-7-10(13(15,16)17)5-6-11(12)14/h5-7,9,18H,3-4,8H2,1-2H3
InChIKeyXKWLDDBGMAZIIJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP4.69
Rot. Bonds5

About N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline

N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline (PubChem CID 63462098) has the molecular formula C13H17F4N and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
PubChem CID63462098
Molecular FormulaC13H17F4N
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC NameN-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
SMILESCCC(CC)CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H17F4N/c1-3-9(4-2)8-18-12-7-10(13(15,16)17)5-6-11(12)14/h5-7,9,18H,3-4,8H2,1-2H3
InChIKeyXKWLDDBGMAZIIJ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
N-[2-bromo-4-(trifluoromethyl)phenyl]-2-ethylbutane-1,4-diamine
CID 115512359
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 63036846
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318
N-(2-chloroprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036670
2-bromo-N-(2-ethylhexyl)-4-(trifluoromethyl)aniline
CID 107816448
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036495
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline?
The IUPAC name of N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline (CID 63462098) is N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline is CCC(CC)CNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline?
The InChIKey is XKWLDDBGMAZIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N/c1-3-9(4-2)8-18-12-7-10(13(15,16)17)5-6-11(12)14/h5-7,9,18H,3-4,8H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline?
N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline has a molecular weight of 263.28 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63462098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).