(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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Related Compounds

3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
CID 130717889
2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid
CID 58462322
ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 164555835
(2S)-2-[(3,3,3-trifluoro-2-methylpropanoyl)amino]hexanoic acid
CID 120614475
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
2,2-difluoro-3-methyl-N-propan-2-ylbutanamide
CID 170077230
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide
CID 3089678
2-methyl-4-oxo-N-propan-2-ylpentanamide
CID 88915731
2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide
CID 15438826
3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119449946
2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide
CID 175635601
1-methyl-3-propan-2-yl-1-(trifluoromethyl)urea
CID 166564956

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).