N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline

C14H10Cl2F3N — CID 101401390

IUPACN-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline
SMILESFC(F)(F)C(Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3N/c15-9-6-7-11(12(16)8-9)13(14(17,18)19)20-10-4-2-1-3-5-10/h1-8,13,20H
InChIKeyLMQAMLWNCLMPEY-UHFFFAOYSA-N
MW320.14 g/mol
LogP5.71
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline

N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline (PubChem CID 101401390) has the molecular formula C14H10Cl2F3N and a molecular weight of 320.14 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline
PubChem CID101401390
Molecular FormulaC14H10Cl2F3N
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC NameN-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline
SMILESFC(F)(F)C(Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3N/c15-9-6-7-11(12(16)8-9)13(14(17,18)19)20-10-4-2-1-3-5-10/h1-8,13,20H
InChIKeyLMQAMLWNCLMPEY-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.14
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-chloroaniline
CID 76281
(E)-4-(2-chloro-6-fluorostyryl)-N-methylaniline
CID 57521314
((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methanamine
CID 46229782
2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethanamine
CID 46229896
N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine
CID 118713805
N-[(4-chlorophenyl)methyl]aniline
CID 10632581
4-(2,4-Dichlorophenyl)-1-phenylpyrrolidin-3-amine
CID 44440632
N-(3,5-dichlorophenyl)-N-(2-fluorobenzyl)amine
CID 834546
(3-Chloro-4-fluoro-phenyl)-(2-fluoro-benzyl)-amine
CID 834562
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline
CID 78323119
4-Chloro-N-(2-fluorobenzyl)aniline
CID 834588
(2,6-Dichlorobenzyl)[4-(1-pyrrolidinyl)phenyl]amine
CID 893102

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline (CID 101401390) is N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline is FC(F)(F)C(Nc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline?
The InChIKey is LMQAMLWNCLMPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N/c15-9-6-7-11(12(16)8-9)13(14(17,18)19)20-10-4-2-1-3-5-10/h1-8,13,20H.
What are the key properties of N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline?
N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline has a molecular weight of 320.14 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]aniline is sourced from PubChem (CID 101401390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).