4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide

C8H15F3N2O — CID 123912028

IUPAC4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide
SMILESCNC(CC(=O)NC(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-5(2)13-7(14)4-6(12-3)8(9,10)11/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyRYMIFFYRLLGROH-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.05
Rot. Bonds4

About 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide

4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide (PubChem CID 123912028) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide
PubChem CID123912028
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide
SMILESCNC(CC(=O)NC(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-5(2)13-7(14)4-6(12-3)8(9,10)11/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyRYMIFFYRLLGROH-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide (CID 123912028) is 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide is CNC(CC(=O)NC(C)C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide?
The InChIKey is RYMIFFYRLLGROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-5(2)13-7(14)4-6(12-3)8(9,10)11/h5-6,12H,4H2,1-3H3,(H,13,14).
What are the key properties of 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide?
4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide has a molecular weight of 212.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 123912028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).