(2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one

C17H15F2NO5 — CID 8560303

IUPAC(2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one
SMILESCc1ccc(O[C@H](C)C(=O)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15F2NO5/c1-10-3-8-15(14(9-10)20(22)23)24-11(2)16(21)12-4-6-13(7-5-12)25-17(18)19/h3-9,11,17H,1-2H3/t11-/m1/s1
InChIKeyOJAXOCATBHVJPQ-LLVKDONJSA-N
MW351.31 g/mol
LogP4.15
Rot. Bonds7

About (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one

(2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one (PubChem CID 8560303) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one
PubChem CID8560303
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name(2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one
SMILESCc1ccc(O[C@H](C)C(=O)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15F2NO5/c1-10-3-8-15(14(9-10)20(22)23)24-11(2)16(21)12-4-6-13(7-5-12)25-17(18)19/h3-9,11,17H,1-2H3/t11-/m1/s1
InChIKeyOJAXOCATBHVJPQ-LLVKDONJSA-N
XLogP4.15
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-bromophenyl)-2-(4-methyl-2-nitrophenoxy)propan-1-one
CID 8563079
(2S)-1-[4-(difluoromethoxy)phenyl]-2-(5-fluoro-2-nitrophenoxy)propan-1-one
CID 7438334
(2R)-1-(3,4-difluorophenyl)-2-(4-methyl-2-nitrophenoxy)propan-1-one
CID 8561805
(2R)-2-(4-chloro-2-nitrophenoxy)-1-(4-methylphenyl)propan-1-one
CID 7990738
N-[4-[(2R)-2-(4-methyl-2-nitrophenoxy)propanoyl]phenyl]butanamide
CID 39952567
N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide
CID 154763377
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
1-[4-(difluoromethoxy)phenyl]ethyl 3-methyl-4-nitrobenzoate
CID 60589453
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
(2S)-2-(2-methoxy-5-nitrophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 7931835

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one?
The IUPAC name of (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one (CID 8560303) is (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one?
The canonical SMILES for (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one is Cc1ccc(O[C@H](C)C(=O)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one?
The InChIKey is OJAXOCATBHVJPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-10-3-8-15(14(9-10)20(22)23)24-11(2)16(21)12-4-6-13(7-5-12)25-17(18)19/h3-9,11,17H,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one?
(2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one has a molecular weight of 351.31 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one is sourced from PubChem (CID 8560303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).