4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine

C7H14F3NO — CID 105441481

IUPAC4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCNCC(C)(CC(F)(F)F)OC
InChIInChI=1S/C7H14F3NO/c1-6(12-3,5-11-2)4-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyOPPXMSGPEHJJEY-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.56
Rot. Bonds4

About 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine

4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 105441481) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID105441481
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCNCC(C)(CC(F)(F)F)OC
InChIInChI=1S/C7H14F3NO/c1-6(12-3,5-11-2)4-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyOPPXMSGPEHJJEY-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine (CID 105441481) is 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine is CNCC(C)(CC(F)(F)F)OC.
What is the InChIKey of 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is OPPXMSGPEHJJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(12-3,5-11-2)4-7(8,9)10/h11H,4-5H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine?
4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 105441481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).