(2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide

C5H9F3N2O — CID 143103242

IUPAC(2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide
SMILESC[C@@](N)(CC(F)(F)F)C(N)=O
InChIInChI=1S/C5H9F3N2O/c1-4(10,3(9)11)2-5(6,7)8/h2,10H2,1H3,(H2,9,11)/t4-/m1/s1
InChIKeyPDWXMZBJBVFZJH-SCSAIBSYSA-N
MW170.13 g/mol
LogP0.14
Rot. Bonds2

About (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide

(2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide (PubChem CID 143103242) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide
PubChem CID143103242
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name(2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide
SMILESC[C@@](N)(CC(F)(F)F)C(N)=O
InChIInChI=1S/C5H9F3N2O/c1-4(10,3(9)11)2-5(6,7)8/h2,10H2,1H3,(H2,9,11)/t4-/m1/s1
InChIKeyPDWXMZBJBVFZJH-SCSAIBSYSA-N
XLogP0.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide?
The IUPAC name of (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide (CID 143103242) is (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide?
The canonical SMILES for (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide is C[C@@](N)(CC(F)(F)F)C(N)=O.
What is the InChIKey of (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide?
The InChIKey is PDWXMZBJBVFZJH-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-4(10,3(9)11)2-5(6,7)8/h2,10H2,1H3,(H2,9,11)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide?
(2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide has a molecular weight of 170.13 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide is sourced from PubChem (CID 143103242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).