2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide

C10H8F4N2O3 — CID 103731946

IUPAC2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)C(F)(F)C(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H8F4N2O3/c1-5-6(3-2-4-7(5)16(18)19)15-9(17)10(13,14)8(11)12/h2-4,8H,1H3,(H,15,17)
InChIKeyNQCBVYJJCOSGGY-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.74
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide

2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 103731946) has the molecular formula C10H8F4N2O3 and a molecular weight of 280.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID103731946
Molecular FormulaC10H8F4N2O3
Molecular Weight280.18 g/mol
Exact Mass280.05
IUPAC Name2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)C(F)(F)C(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H8F4N2O3/c1-5-6(3-2-4-7(5)16(18)19)15-9(17)10(13,14)8(11)12/h2-4,8H,1H3,(H,15,17)
InChIKeyNQCBVYJJCOSGGY-UHFFFAOYSA-N
XLogP2.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
(2-methyl-3-nitrophenyl)urea
CID 22416531
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
1-(2-methyl-3-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 1297073
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
1-(1-cyclopropyl-2,2-difluoroethyl)-3-(2-methyl-3-nitrophenyl)urea
CID 127266317
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9394683
2-(2-methyl-3-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168600567
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
1-[dimethyl(nitroso)-λ4-sulfanyl]-N-(2-methyl-3-nitrophenyl)formamide
CID 87606058

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide (CID 103731946) is 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide is Cc1c(NC(=O)C(F)(F)C(F)F)cccc1[N+](=O)[O-].
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is NQCBVYJJCOSGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O3/c1-5-6(3-2-4-7(5)16(18)19)15-9(17)10(13,14)8(11)12/h2-4,8H,1H3,(H,15,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 280.18 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 103731946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).