2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide

C9H17F3N2O — CID 62900468

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCCC(C(N)=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O/c1-4-7(8(13)15)14(6(2)3)5-9(10,11)12/h6-7H,4-5H2,1-3H3,(H2,13,15)
InChIKeyHVMKOGPVKHIUQR-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.52
Rot. Bonds5

About 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide

2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide (PubChem CID 62900468) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
PubChem CID62900468
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCCC(C(N)=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O/c1-4-7(8(13)15)14(6(2)3)5-9(10,11)12/h6-7H,4-5H2,1-3H3,(H2,13,15)
InChIKeyHVMKOGPVKHIUQR-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide (CID 62900468) is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide is CCC(C(N)=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide?
The InChIKey is HVMKOGPVKHIUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-4-7(8(13)15)14(6(2)3)5-9(10,11)12/h6-7H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide?
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide has a molecular weight of 226.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide is sourced from PubChem (CID 62900468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).