(2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide

C12H14F3NO — CID 177438213

IUPAC(2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F3NO/c1-8(12(13,14)15)11(17)16-9(2)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/t8-,9+/m0/s1
InChIKeyWMGVRDTVLFXTMR-DTWKUNHWSA-N
MW245.24 g/mol
LogP3.06
Rot. Bonds3

About (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide

(2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 177438213) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide
PubChem CID177438213
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F3NO/c1-8(12(13,14)15)11(17)16-9(2)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/t8-,9+/m0/s1
InChIKeyWMGVRDTVLFXTMR-DTWKUNHWSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide (CID 177438213) is (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is WMGVRDTVLFXTMR-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8(12(13,14)15)11(17)16-9(2)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/t8-,9+/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide?
(2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 245.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-methyl-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 177438213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).