(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide

C10H10F3NO2 — CID 67717201

IUPAC(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
SMILESCO[C@](C(N)=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,14,15)/t9-/m0/s1
InChIKeySETXOSHLSVQYMC-VIFPVBQESA-N
MW233.19 g/mol
LogP1.58
Rot. Bonds3

About (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide

(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide (PubChem CID 67717201) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
PubChem CID67717201
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
SMILESCO[C@](C(N)=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,14,15)/t9-/m0/s1
InChIKeySETXOSHLSVQYMC-VIFPVBQESA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 102071595
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropaneperoxoate
CID 87992378
[(1S)-2-methylidenecyclopropyl]methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10447502
3,3,3-trifluoro-2-methoxy-2-phenylpropanoate;triphenylsulfanium
CID 87756674
(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 69259754
(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
CID 10806236
butan-2-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 13395967
[(3R)-3-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxymethyl]pent-4-enyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10816443
methyl (2S,3S)-3-methyl-2-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]pentanoate
CID 102095413
2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
CID 84738628
[(2R)-2-(2-methoxyphenyl)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 23256176

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide (CID 67717201) is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide is CO[C@](C(N)=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The InChIKey is SETXOSHLSVQYMC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,14,15)/t9-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide has a molecular weight of 233.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide is sourced from PubChem (CID 67717201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).