N-(6-chlorohexyl)-2-(trifluoromethyl)aniline

C13H17ClF3N — CID 107846141

IUPACN-(6-chlorohexyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCCCCCCCl
InChIInChI=1S/C13H17ClF3N/c14-9-5-1-2-6-10-18-12-8-4-3-7-11(12)13(15,16)17/h3-4,7-8,18H,1-2,5-6,9-10H2
InChIKeyIOSDCICFSPSASS-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.92
Rot. Bonds7

About N-(6-chlorohexyl)-2-(trifluoromethyl)aniline

N-(6-chlorohexyl)-2-(trifluoromethyl)aniline (PubChem CID 107846141) has the molecular formula C13H17ClF3N and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(6-chlorohexyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(6-chlorohexyl)-2-(trifluoromethyl)aniline
PubChem CID107846141
Molecular FormulaC13H17ClF3N
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC NameN-(6-chlorohexyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCCCCCCCl
InChIInChI=1S/C13H17ClF3N/c14-9-5-1-2-6-10-18-12-8-4-3-7-11(12)13(15,16)17/h3-4,7-8,18H,1-2,5-6,9-10H2
InChIKeyIOSDCICFSPSASS-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.92
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-(5-chloropentyl)-2-(trifluoromethyl)aniline
CID 107320506
N-(5-methylhexyl)-2-(trifluoromethyl)aniline
CID 115326059
N-(5-chloro-2,2-dimethylpentyl)-2-(trifluoromethyl)aniline
CID 114149158
4-[2-(trifluoromethyl)anilino]butanoic acid
CID 18071647
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 62312600
1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 174529363
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-(trifluoromethyl)aniline
CID 64532428
N-(3-propoxypropyl)-2-(trifluoromethyl)aniline
CID 82944074
5-chloropentyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970739
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
CID 62313288
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
CID 61492201

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(6-chlorohexyl)-2-(trifluoromethyl)aniline (CID 107846141) is N-(6-chlorohexyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(6-chlorohexyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(6-chlorohexyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCCCCCCCl.
What is the InChIKey of N-(6-chlorohexyl)-2-(trifluoromethyl)aniline?
The InChIKey is IOSDCICFSPSASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N/c14-9-5-1-2-6-10-18-12-8-4-3-7-11(12)13(15,16)17/h3-4,7-8,18H,1-2,5-6,9-10H2.
What are the key properties of N-(6-chlorohexyl)-2-(trifluoromethyl)aniline?
N-(6-chlorohexyl)-2-(trifluoromethyl)aniline has a molecular weight of 279.73 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107846141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).