N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide

C7H11F3N2O2 — CID 163138483

IUPACN-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-3-4(2)11-6(14)12-5(13)7(8,9)10/h4H,3H2,1-2H3,(H2,11,12,13,14)/t4-/m1/s1
InChIKeyIWPALOPKPIXBHU-SCSAIBSYSA-N
MW212.17 g/mol
LogP1.17
Rot. Bonds2

About N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide

N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide (PubChem CID 163138483) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide
PubChem CID163138483
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-3-4(2)11-6(14)12-5(13)7(8,9)10/h4H,3H2,1-2H3,(H2,11,12,13,14)/t4-/m1/s1
InChIKeyIWPALOPKPIXBHU-SCSAIBSYSA-N
XLogP1.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide (CID 163138483) is N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide is CC[C@@H](C)NC(=O)NC(=O)C(F)(F)F.
What is the InChIKey of N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide?
The InChIKey is IWPALOPKPIXBHU-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-3-4(2)11-6(14)12-5(13)7(8,9)10/h4H,3H2,1-2H3,(H2,11,12,13,14)/t4-/m1/s1.
What are the key properties of N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide?
N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide has a molecular weight of 212.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 163138483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).