(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide

C9H6F4N2O4 — CID 7285095

IUPAC(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H](F)C(F)(F)F
InChIInChI=1S/C9H6F4N2O4/c10-7(9(11,12)13)8(17)14-5-2-1-4(15(18)19)3-6(5)16/h1-3,7,16H,(H,14,17)/t7-/m1/s1
InChIKeyVCBHTQKIGRKGIB-SSDOTTSWSA-N
MW282.15 g/mol
LogP2.14
Rot. Bonds3

About (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide

(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide (PubChem CID 7285095) has the molecular formula C9H6F4N2O4 and a molecular weight of 282.15 g/mol. Its IUPAC name is (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
PubChem CID7285095
Molecular FormulaC9H6F4N2O4
Molecular Weight282.15 g/mol
Exact Mass282.03
IUPAC Name(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H](F)C(F)(F)F
InChIInChI=1S/C9H6F4N2O4/c10-7(9(11,12)13)8(17)14-5-2-1-4(15(18)19)3-6(5)16/h1-3,7,16H,(H,14,17)/t7-/m1/s1
InChIKeyVCBHTQKIGRKGIB-SSDOTTSWSA-N
XLogP2.14
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide
CID 107744218
1-(2-hydroxy-4-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 157365653
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
2,2,2-trifluoroethyl N-(2-hydroxy-4-nitrophenyl)carbamate
CID 107746041
(2S)-2-bromo-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 52904928
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
N-(2-hydroxy-4-nitrophenyl)but-2-ynamide
CID 107989033
(2S,3S)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3-methylpentanamide
CID 107744120
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 46226805
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
2-amino-N-(2-hydroxy-4-nitrophenyl)-4-methylsulfonylbutanamide
CID 107744189

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide?
The IUPAC name of (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide (CID 7285095) is (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H](F)C(F)(F)F.
What is the InChIKey of (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide?
The InChIKey is VCBHTQKIGRKGIB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6F4N2O4/c10-7(9(11,12)13)8(17)14-5-2-1-4(15(18)19)3-6(5)16/h1-3,7,16H,(H,14,17)/t7-/m1/s1.
What are the key properties of (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide?
(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide has a molecular weight of 282.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 7285095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).