(2S)-3,3,3-trifluoro-2-methylpropanamide

C4H6F3NO — CID 87152928

IUPAC(2S)-3,3,3-trifluoro-2-methylpropanamide
SMILESC[C@@H](C(N)=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H2,8,9)/t2-/m0/s1
InChIKeyMXEXHASUJVVTKU-REOHCLBHSA-N
MW141.09 g/mol
LogP0.67
Rot. Bonds1

About (2S)-3,3,3-trifluoro-2-methylpropanamide

(2S)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 87152928) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID87152928
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name(2S)-3,3,3-trifluoro-2-methylpropanamide
SMILESC[C@@H](C(N)=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H2,8,9)/t2-/m0/s1
InChIKeyMXEXHASUJVVTKU-REOHCLBHSA-N
XLogP0.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.67
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-methylpropanamide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methylpropanamide (CID 87152928) is (2S)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-methylpropanamide is C[C@@H](C(N)=O)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is MXEXHASUJVVTKU-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H2,8,9)/t2-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methylpropanamide?
(2S)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 141.09 g/mol, XLogP of 0.67, 1 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-methylpropanamide is sourced from PubChem (CID 87152928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).