1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine

C12H11Cl2F6N — CID 103311982

IUPAC1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11Cl2F6N/c1-21-9(10(11(15,16)17)12(18,19)20)5-6-4-7(13)2-3-8(6)14/h2-4,9-10,21H,5H2,1H3
InChIKeyGNWUKRSOCFEUFO-UHFFFAOYSA-N
MW354.12 g/mol
LogP4.86
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine

1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine (PubChem CID 103311982) has the molecular formula C12H11Cl2F6N and a molecular weight of 354.12 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
PubChem CID103311982
Molecular FormulaC12H11Cl2F6N
Molecular Weight354.12 g/mol
Exact Mass353.02
IUPAC Name1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11Cl2F6N/c1-21-9(10(11(15,16)17)12(18,19)20)5-6-4-7(13)2-3-8(6)14/h2-4,9-10,21H,5H2,1H3
InChIKeyGNWUKRSOCFEUFO-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 106867579
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103516664
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
CID 116723444
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79092426
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115862958
2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 115862951
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine (CID 103311982) is 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine is CNC(Cc1cc(Cl)ccc1Cl)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine?
The InChIKey is GNWUKRSOCFEUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2F6N/c1-21-9(10(11(15,16)17)12(18,19)20)5-6-4-7(13)2-3-8(6)14/h2-4,9-10,21H,5H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine?
1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine has a molecular weight of 354.12 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103311982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).