N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide

C10H17F3N2O2 — CID 145466442

IUPACN,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide
SMILESCNC(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H17F3N2O2/c1-9(2,3)7(8(17)14-4)15-6(16)5-10(11,12)13/h7H,5H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyCZEODVKVJQZZMI-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.22
Rot. Bonds3

About N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide

N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide (PubChem CID 145466442) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide.

Molecular Properties

Compound NameN,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide
PubChem CID145466442
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide
SMILESCNC(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H17F3N2O2/c1-9(2,3)7(8(17)14-4)15-6(16)5-10(11,12)13/h7H,5H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyCZEODVKVJQZZMI-UHFFFAOYSA-N
XLogP1.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide?
The IUPAC name of N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide (CID 145466442) is N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide.
What is the SMILES notation for N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide?
The canonical SMILES for N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide is CNC(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide?
The InChIKey is CZEODVKVJQZZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(2,3)7(8(17)14-4)15-6(16)5-10(11,12)13/h7H,5H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide?
N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide has a molecular weight of 254.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide is sourced from PubChem (CID 145466442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).