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

C10H8F4N2O3 — CID 103732939

IUPAC2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide
SMILESO=C(NCc1ccccc1[N+](=O)[O-])C(F)(F)C(F)F
InChIInChI=1S/C10H8F4N2O3/c11-8(12)10(13,14)9(17)15-5-6-3-1-2-4-7(6)16(18)19/h1-4,8H,5H2,(H,15,17)
InChIKeyJGOXVRQMNIWEEF-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.11
Rot. Bonds5

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

2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide (PubChem CID 103732939) 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-nitrophenyl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide
PubChem CID103732939
Molecular FormulaC10H8F4N2O3
Molecular Weight280.18 g/mol
Exact Mass280.05
IUPAC Name2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide
SMILESO=C(NCc1ccccc1[N+](=O)[O-])C(F)(F)C(F)F
InChIInChI=1S/C10H8F4N2O3/c11-8(12)10(13,14)9(17)15-5-6-3-1-2-4-7(6)16(18)19/h1-4,8H,5H2,(H,15,17)
InChIKeyJGOXVRQMNIWEEF-UHFFFAOYSA-N
XLogP2.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.11
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-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
(2-nitrophenyl)methylcarbamic acid
CID 18621803
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47413238
2-(aminomethyl)-3-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 65227998
2-methyl-3-[(2-nitrophenyl)methylcarbamoylamino]propanoic acid
CID 62671354
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
4-amino-N-[(2-nitrophenyl)methyl]butanamide;hydrochloride
CID 119280318
methyl 2-(2-nitrophenyl)acetate
CID 520464
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
1-[(2S)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(2-nitrophenyl)methyl]urea
CID 97087452

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide (CID 103732939) is 2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide is O=C(NCc1ccccc1[N+](=O)[O-])C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide?
The InChIKey is JGOXVRQMNIWEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O3/c11-8(12)10(13,14)9(17)15-5-6-3-1-2-4-7(6)16(18)19/h1-4,8H,5H2,(H,15,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(2-nitrophenyl)methyl]propanamide has a molecular weight of 280.18 g/mol, XLogP of 2.11, 5 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-nitrophenyl)methyl]propanamide is sourced from PubChem (CID 103732939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).