2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine

C12H13F6N — CID 168898792

IUPAC2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cc(C(N(C)C)C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C12H13F6N/c1-7-6-8(4-5-9(7)11(13,14)15)10(19(2)3)12(16,17)18/h4-6,10H,1-3H3
InChIKeyJTQGCZOFKRENOU-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.18
Rot. Bonds2

About 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine

2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 168898792) has the molecular formula C12H13F6N and a molecular weight of 285.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID168898792
Molecular FormulaC12H13F6N
Molecular Weight285.23 g/mol
Exact Mass285.10
IUPAC Name2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cc(C(N(C)C)C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C12H13F6N/c1-7-6-8(4-5-9(7)11(13,14)15)10(19(2)3)12(16,17)18/h4-6,10H,1-3H3
InChIKeyJTQGCZOFKRENOU-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine (CID 168898792) is 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine is Cc1cc(C(N(C)C)C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JTQGCZOFKRENOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N/c1-7-6-8(4-5-9(7)11(13,14)15)10(19(2)3)12(16,17)18/h4-6,10H,1-3H3.
What are the key properties of 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine?
2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.23 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 168898792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).