N-(4-chlorobutyl)-4-(trifluoromethyl)aniline

C11H13ClF3N — CID 46941334

IUPACN-(4-chlorobutyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCCCCl)cc1
InChIInChI=1S/C11H13ClF3N/c12-7-1-2-8-16-10-5-3-9(4-6-10)11(13,14)15/h3-6,16H,1-2,7-8H2
InChIKeyXFGIGURENQYACZ-UHFFFAOYSA-N
MW251.68 g/mol
LogP4.14
Rot. Bonds5

About N-(4-chlorobutyl)-4-(trifluoromethyl)aniline

N-(4-chlorobutyl)-4-(trifluoromethyl)aniline (PubChem CID 46941334) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is N-(4-chlorobutyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-chlorobutyl)-4-(trifluoromethyl)aniline
PubChem CID46941334
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC NameN-(4-chlorobutyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCCCCl)cc1
InChIInChI=1S/C11H13ClF3N/c12-7-1-2-8-16-10-5-3-9(4-6-10)11(13,14)15/h3-6,16H,1-2,7-8H2
InChIKeyXFGIGURENQYACZ-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-4-(trifluoromethyl)aniline
CID 63488784
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
N-(4-chlorobutyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304185
N-(4-chlorobutyl)pyridin-4-amine
CID 106845129
N-(4-chloropentyl)-4-(trifluoromethyl)aniline
CID 106124677
N-hept-6-enyl-4-(trifluoromethyl)aniline
CID 107006448
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
4-[4-(trifluoromethyl)anilino]butanenitrile
CID 28575681
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
CID 62648259
N-[4-(3-chloropropoxy)phenyl]-4-(trifluoromethyl)aniline
CID 23393376
4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine
CID 170212771

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(4-chlorobutyl)-4-(trifluoromethyl)aniline (CID 46941334) is N-(4-chlorobutyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-chlorobutyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-chlorobutyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCCCCCl)cc1.
What is the InChIKey of N-(4-chlorobutyl)-4-(trifluoromethyl)aniline?
The InChIKey is XFGIGURENQYACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N/c12-7-1-2-8-16-10-5-3-9(4-6-10)11(13,14)15/h3-6,16H,1-2,7-8H2.
What are the key properties of N-(4-chlorobutyl)-4-(trifluoromethyl)aniline?
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline has a molecular weight of 251.68 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 46941334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).