(2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one

C15H11F2NO4 — CID 7816846

IUPAC(2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2NO4/c1-9(15(19)10-2-7-13(16)14(17)8-10)22-12-5-3-11(4-6-12)18(20)21/h2-9H,1H3/t9-/m1/s1
InChIKeyAZMOQPYQGYUMKB-SECBINFHSA-N
MW307.25 g/mol
LogP3.52
Rot. Bonds5

About (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one

(2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one (PubChem CID 7816846) has the molecular formula C15H11F2NO4 and a molecular weight of 307.25 g/mol. Its IUPAC name is (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one
PubChem CID7816846
Molecular FormulaC15H11F2NO4
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Name(2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2NO4/c1-9(15(19)10-2-7-13(16)14(17)8-10)22-12-5-3-11(4-6-12)18(20)21/h2-9H,1H3/t9-/m1/s1
InChIKeyAZMOQPYQGYUMKB-SECBINFHSA-N
XLogP3.52
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
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

(2R)-1-(3,4-difluorophenyl)-2-(4-methyl-2-nitrophenoxy)propan-1-one
CID 8561805
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-4-nitrobenzamide
CID 19645148
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
N-[4-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-4-nitrobenzamide
CID 19645248
7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967871
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
N-[4-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 41065885
(2S)-2-(2-methoxy-5-nitrophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 7931835
1-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43413219
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one?
The IUPAC name of (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one (CID 7816846) is (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one?
The canonical SMILES for (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one is C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one?
The InChIKey is AZMOQPYQGYUMKB-SECBINFHSA-N. The full InChI is InChI=1S/C15H11F2NO4/c1-9(15(19)10-2-7-13(16)14(17)8-10)22-12-5-3-11(4-6-12)18(20)21/h2-9H,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one?
(2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one has a molecular weight of 307.25 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-difluorophenyl)-2-(4-nitrophenoxy)propan-1-one is sourced from PubChem (CID 7816846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).