4,4,4-trifluoro-2-propan-2-ylbutanamide

C7H12F3NO — CID 59458547

IUPAC4,4,4-trifluoro-2-propan-2-ylbutanamide
SMILESCC(C)C(CC(F)(F)F)C(N)=O
InChIInChI=1S/C7H12F3NO/c1-4(2)5(6(11)12)3-7(8,9)10/h4-5H,3H2,1-2H3,(H2,11,12)
InChIKeyGHDFRUHJHSWSOD-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.70
Rot. Bonds3

About 4,4,4-trifluoro-2-propan-2-ylbutanamide

4,4,4-trifluoro-2-propan-2-ylbutanamide (PubChem CID 59458547) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-propan-2-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-propan-2-ylbutanamide
PubChem CID59458547
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name4,4,4-trifluoro-2-propan-2-ylbutanamide
SMILESCC(C)C(CC(F)(F)F)C(N)=O
InChIInChI=1S/C7H12F3NO/c1-4(2)5(6(11)12)3-7(8,9)10/h4-5H,3H2,1-2H3,(H2,11,12)
InChIKeyGHDFRUHJHSWSOD-UHFFFAOYSA-N
XLogP1.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-propan-2-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-2-propan-2-ylbutanamide (CID 59458547) is 4,4,4-trifluoro-2-propan-2-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-2-propan-2-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-2-propan-2-ylbutanamide is CC(C)C(CC(F)(F)F)C(N)=O.
What is the InChIKey of 4,4,4-trifluoro-2-propan-2-ylbutanamide?
The InChIKey is GHDFRUHJHSWSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4(2)5(6(11)12)3-7(8,9)10/h4-5H,3H2,1-2H3,(H2,11,12).
What are the key properties of 4,4,4-trifluoro-2-propan-2-ylbutanamide?
4,4,4-trifluoro-2-propan-2-ylbutanamide has a molecular weight of 183.17 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-propan-2-ylbutanamide is sourced from PubChem (CID 59458547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).