(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide

C9H15F3N2O2 — CID 59461057

IUPAC(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
SMILESCC(C)(C)C[C@@H](NC(=O)C(F)(F)F)C(N)=O
InChIInChI=1S/C9H15F3N2O2/c1-8(2,3)4-5(6(13)15)14-7(16)9(10,11)12/h5H,4H2,1-3H3,(H2,13,15)(H,14,16)/t5-/m1/s1
InChIKeyDBIQNTQRCDHMEK-RXMQYKEDSA-N
MW240.22 g/mol
LogP0.95
Rot. Bonds3

About (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide

(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide (PubChem CID 59461057) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
PubChem CID59461057
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
SMILESCC(C)(C)C[C@@H](NC(=O)C(F)(F)F)C(N)=O
InChIInChI=1S/C9H15F3N2O2/c1-8(2,3)4-5(6(13)15)14-7(16)9(10,11)12/h5H,4H2,1-3H3,(H2,13,15)(H,14,16)/t5-/m1/s1
InChIKeyDBIQNTQRCDHMEK-RXMQYKEDSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The IUPAC name of (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide (CID 59461057) is (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide.
What is the SMILES notation for (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The canonical SMILES for (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide is CC(C)(C)C[C@@H](NC(=O)C(F)(F)F)C(N)=O.
What is the InChIKey of (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The InChIKey is DBIQNTQRCDHMEK-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(2,3)4-5(6(13)15)14-7(16)9(10,11)12/h5H,4H2,1-3H3,(H2,13,15)(H,14,16)/t5-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide?
(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide has a molecular weight of 240.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide is sourced from PubChem (CID 59461057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).