(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide

C7H12F3NO — CID 138551992

IUPAC(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)11-6(12)5(3)7(8,9)10/h4-5H,1-3H3,(H,11,12)/t5-/m1/s1
InChIKeyQAJUHXLEXULFAS-RXMQYKEDSA-N
MW183.17 g/mol
LogP1.71
Rot. Bonds2

About (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide

(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide (PubChem CID 138551992) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
PubChem CID138551992
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)11-6(12)5(3)7(8,9)10/h4-5H,1-3H3,(H,11,12)/t5-/m1/s1
InChIKeyQAJUHXLEXULFAS-RXMQYKEDSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide (CID 138551992) is (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is QAJUHXLEXULFAS-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4(2)11-6(12)5(3)7(8,9)10/h4-5H,1-3H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide?
(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 183.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 138551992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).