N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide

C10H12F3N3O3 — CID 90073864

IUPACN-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide
SMILESCC(F)(F)CNC(=O)Cn1ccc(CF)c1[N+](=O)[O-]
InChIInChI=1S/C10H12F3N3O3/c1-10(12,13)6-14-8(17)5-15-3-2-7(4-11)9(15)16(18)19/h2-3H,4-6H2,1H3,(H,14,17)
InChIKeyLPWFSYIMTPPTMV-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.64
Rot. Bonds6

About N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide

N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide (PubChem CID 90073864) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide
PubChem CID90073864
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC NameN-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide
SMILESCC(F)(F)CNC(=O)Cn1ccc(CF)c1[N+](=O)[O-]
InChIInChI=1S/C10H12F3N3O3/c1-10(12,13)6-14-8(17)5-15-3-2-7(4-11)9(15)16(18)19/h2-3H,4-6H2,1H3,(H,14,17)
InChIKeyLPWFSYIMTPPTMV-UHFFFAOYSA-N
XLogP1.64
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide?
The IUPAC name of N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide (CID 90073864) is N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide?
The canonical SMILES for N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide is CC(F)(F)CNC(=O)Cn1ccc(CF)c1[N+](=O)[O-].
What is the InChIKey of N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide?
The InChIKey is LPWFSYIMTPPTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-10(12,13)6-14-8(17)5-15-3-2-7(4-11)9(15)16(18)19/h2-3H,4-6H2,1H3,(H,14,17).
What are the key properties of N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide?
N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide has a molecular weight of 279.22 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-2-[3-(fluoromethyl)-2-nitropyrrol-1-yl]acetamide is sourced from PubChem (CID 90073864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).