N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide

C10H11F5N2O3 — CID 134463255

IUPACN-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C(=O)N(C)C(=O)C(F)(F)F)C(F)F
InChIInChI=1S/C10H11F5N2O3/c1-4(2)7(18)16-5(6(11)12)8(19)17(3)9(20)10(13,14)15/h5-6H,1H2,2-3H3,(H,16,18)
InChIKeyDFYXADRVDLLQHP-UHFFFAOYSA-N
MW302.20 g/mol
LogP0.86
Rot. Bonds4

About N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide

N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide (PubChem CID 134463255) has the molecular formula C10H11F5N2O3 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide
PubChem CID134463255
Molecular FormulaC10H11F5N2O3
Molecular Weight302.20 g/mol
Exact Mass302.07
IUPAC NameN-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C(=O)N(C)C(=O)C(F)(F)F)C(F)F
InChIInChI=1S/C10H11F5N2O3/c1-4(2)7(18)16-5(6(11)12)8(19)17(3)9(20)10(13,14)15/h5-6H,1H2,2-3H3,(H,16,18)
InChIKeyDFYXADRVDLLQHP-UHFFFAOYSA-N
XLogP0.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide (CID 134463255) is N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C(=O)N(C)C(=O)C(F)(F)F)C(F)F.
What is the InChIKey of N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide?
The InChIKey is DFYXADRVDLLQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O3/c1-4(2)7(18)16-5(6(11)12)8(19)17(3)9(20)10(13,14)15/h5-6H,1H2,2-3H3,(H,16,18).
What are the key properties of N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide?
N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide has a molecular weight of 302.20 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-difluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 134463255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).