N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide

C11H10F4N2O4 — CID 11551338

IUPACN-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide
SMILESCCC(O)(C(=O)Nc1cc([N+](=O)[O-])ccc1F)C(F)(F)F
InChIInChI=1S/C11H10F4N2O4/c1-2-10(19,11(13,14)15)9(18)16-8-5-6(17(20)21)3-4-7(8)12/h3-5,19H,2H2,1H3,(H,16,18)
InChIKeyQPLOPTUUXKFPST-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.38
Rot. Bonds4

About N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide

N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide (PubChem CID 11551338) has the molecular formula C11H10F4N2O4 and a molecular weight of 310.20 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide
PubChem CID11551338
Molecular FormulaC11H10F4N2O4
Molecular Weight310.20 g/mol
Exact Mass310.06
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide
SMILESCCC(O)(C(=O)Nc1cc([N+](=O)[O-])ccc1F)C(F)(F)F
InChIInChI=1S/C11H10F4N2O4/c1-2-10(19,11(13,14)15)9(18)16-8-5-6(17(20)21)3-4-7(8)12/h3-5,19H,2H2,1H3,(H,16,18)
InChIKeyQPLOPTUUXKFPST-UHFFFAOYSA-N
XLogP2.38
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
CID 2905787
3-[(2-fluoro-5-nitrophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177625
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
2-(aminomethyl)-N-(2-fluoro-5-nitrophenyl)butanamide
CID 65225442
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
(2S)-2-amino-N-(2-fluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61155225
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide (CID 11551338) is N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide is CCC(O)(C(=O)Nc1cc([N+](=O)[O-])ccc1F)C(F)(F)F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide?
The InChIKey is QPLOPTUUXKFPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O4/c1-2-10(19,11(13,14)15)9(18)16-8-5-6(17(20)21)3-4-7(8)12/h3-5,19H,2H2,1H3,(H,16,18).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide?
N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide has a molecular weight of 310.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-hydroxy-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 11551338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).