2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

C7H14F3NO — CID 62353233

IUPAC2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(C)(CN)OCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-6(2,4-11)12-5-7(8,9)10/h3-5,11H2,1-2H3
InChIKeyRBFJWXKUEWOPTA-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62353233) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62353233
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(C)(CN)OCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-6(2,4-11)12-5-7(8,9)10/h3-5,11H2,1-2H3
InChIKeyRBFJWXKUEWOPTA-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62353233) is 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is CCC(C)(CN)OCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is RBFJWXKUEWOPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-3-6(2,4-11)12-5-7(8,9)10/h3-5,11H2,1-2H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62353233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).