N-(4-chloropentyl)-4-(trifluoromethyl)aniline

C12H15ClF3N — CID 106124677

IUPACN-(4-chloropentyl)-4-(trifluoromethyl)aniline
SMILESCC(Cl)CCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15ClF3N/c1-9(13)3-2-8-17-11-6-4-10(5-7-11)12(14,15)16/h4-7,9,17H,2-3,8H2,1H3
InChIKeyZZWFGXQYUHOSNK-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.52
Rot. Bonds5

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

N-(4-chloropentyl)-4-(trifluoromethyl)aniline (PubChem CID 106124677) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is N-(4-chloropentyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-chloropentyl)-4-(trifluoromethyl)aniline
PubChem CID106124677
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC NameN-(4-chloropentyl)-4-(trifluoromethyl)aniline
SMILESCC(Cl)CCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15ClF3N/c1-9(13)3-2-8-17-11-6-4-10(5-7-11)12(14,15)16/h4-7,9,17H,2-3,8H2,1H3
InChIKeyZZWFGXQYUHOSNK-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.52
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(4-chloropentyl)-4-(trifluoromethyl)aniline (CID 106124677) is N-(4-chloropentyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-chloropentyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-chloropentyl)-4-(trifluoromethyl)aniline is CC(Cl)CCCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-chloropentyl)-4-(trifluoromethyl)aniline?
The InChIKey is ZZWFGXQYUHOSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c1-9(13)3-2-8-17-11-6-4-10(5-7-11)12(14,15)16/h4-7,9,17H,2-3,8H2,1H3.
What are the key properties of N-(4-chloropentyl)-4-(trifluoromethyl)aniline?
N-(4-chloropentyl)-4-(trifluoromethyl)aniline has a molecular weight of 265.71 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 106124677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).