N,N-Dibutyl-4-(trifluoromethyl)aniline

C15H22F3N — CID 18943008

IUPACN,N-dibutyl-4-(trifluoromethyl)aniline
SMILESCCCCN(CCCC)C1=CC=C(C=C1)C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-3-5-11-19(12-6-4-2)14-9-7-13(8-10-14)15(16,17)18/h7-10H,3-6,11-12H2,1-2H3
InChIKeyWZVLKXUZDXMYMI-UHFFFAOYSA-N
MW273.34 g/mol
LogP5.40
Rot. Bonds7

About N,N-Dibutyl-4-(trifluoromethyl)aniline

N,N-Dibutyl-4-(trifluoromethyl)aniline (PubChem CID 18943008) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N,N-dibutyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-Dibutyl-4-(trifluoromethyl)aniline
PubChem CID18943008
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN,N-dibutyl-4-(trifluoromethyl)aniline
SMILESCCCCN(CCCC)C1=CC=C(C=C1)C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-3-5-11-19(12-6-4-2)14-9-7-13(8-10-14)15(16,17)18/h7-10H,3-6,11-12H2,1-2H3
InChIKeyWZVLKXUZDXMYMI-UHFFFAOYSA-N
XLogP5.40
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity224

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.34
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N,N-dimethyl-m-toluidine
CID 8488
4-Dimethylaminostilbene
CID 640024
N,N-diethyl-m-toluidine
CID 66679
N,N,N',N'-Tetramethylbenzidine
CID 9702
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CID 118703
Phenbenzamine
CID 13751
N,N,2-Trimethylaniline
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N,N-Dibutylaniline
CID 61154

Frequently Asked Questions

What is the IUPAC name of N,N-Dibutyl-4-(trifluoromethyl)aniline?
The IUPAC name of N,N-Dibutyl-4-(trifluoromethyl)aniline (CID 18943008) is N,N-dibutyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-Dibutyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N,N-Dibutyl-4-(trifluoromethyl)aniline is CCCCN(CCCC)C1=CC=C(C=C1)C(F)(F)F.
What is the InChIKey of N,N-Dibutyl-4-(trifluoromethyl)aniline?
The InChIKey is WZVLKXUZDXMYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-3-5-11-19(12-6-4-2)14-9-7-13(8-10-14)15(16,17)18/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-Dibutyl-4-(trifluoromethyl)aniline?
N,N-Dibutyl-4-(trifluoromethyl)aniline has a molecular weight of 273.34 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Dibutyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 18943008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).