N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide

C6H10F3NO — CID 121358077

IUPACN-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide
SMILESCC[C@H](NC(C)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-5(6(7,8)9)10-4(2)11/h5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyUEMUEUJHFNUAOR-YFKPBYRVSA-N
MW169.15 g/mol
LogP1.46
Rot. Bonds2

About N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide

N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide (PubChem CID 121358077) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide
PubChem CID121358077
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide
SMILESCC[C@H](NC(C)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-5(6(7,8)9)10-4(2)11/h5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyUEMUEUJHFNUAOR-YFKPBYRVSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide (CID 121358077) is N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide is CC[C@H](NC(C)=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide?
The InChIKey is UEMUEUJHFNUAOR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-3-5(6(7,8)9)10-4(2)11/h5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1.
What are the key properties of N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide?
N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide has a molecular weight of 169.15 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1,1-trifluorobutan-2-yl]acetamide is sourced from PubChem (CID 121358077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).