3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine

C11H12Cl2F3N — CID 132588737

IUPAC3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)C(N)C(F)(F)F
InChIInChI=1S/C11H12Cl2F3N/c1-10(2,9(17)11(14,15)16)6-3-4-7(12)8(13)5-6/h3-5,9H,17H2,1-2H3
InChIKeyJIGHBTINJWPJGY-UHFFFAOYSA-N
MW286.12 g/mol
LogP4.16
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine

3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine (PubChem CID 132588737) has the molecular formula C11H12Cl2F3N and a molecular weight of 286.12 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
PubChem CID132588737
Molecular FormulaC11H12Cl2F3N
Molecular Weight286.12 g/mol
Exact Mass285.03
IUPAC Name3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)C(N)C(F)(F)F
InChIInChI=1S/C11H12Cl2F3N/c1-10(2,9(17)11(14,15)16)6-3-4-7(12)8(13)5-6/h3-5,9H,17H2,1-2H3
InChIKeyJIGHBTINJWPJGY-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-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

3-(4-bromo-3-chlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588809
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670
3-(3,5-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588757
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
3-(2,5-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588763
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
3-(2-chlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588716
4-(4-bromo-2-methylbutan-2-yl)-1,2-dichlorobenzene
CID 79838104
3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol
CID 63083776
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol
CID 66792507
1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine
CID 54046222

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine (CID 132588737) is 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine is CC(C)(c1ccc(Cl)c(Cl)c1)C(N)C(F)(F)F.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The InChIKey is JIGHBTINJWPJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3N/c1-10(2,9(17)11(14,15)16)6-3-4-7(12)8(13)5-6/h3-5,9H,17H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine has a molecular weight of 286.12 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine is sourced from PubChem (CID 132588737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).