2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene

C14H11F2NO4 — CID 78978484

IUPAC2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cc1F
InChIInChI=1S/C14H11F2NO4/c1-20-14-5-2-9(6-12(14)16)8-21-10-3-4-13(17(18)19)11(15)7-10/h2-7H,8H2,1H3
InChIKeyWDVLWPWGOFNELL-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.46
Rot. Bonds5

About 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene

2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene (PubChem CID 78978484) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
PubChem CID78978484
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cc1F
InChIInChI=1S/C14H11F2NO4/c1-20-14-5-2-9(6-12(14)16)8-21-10-3-4-13(17(18)19)11(15)7-10/h2-7H,8H2,1H3
InChIKeyWDVLWPWGOFNELL-UHFFFAOYSA-N
XLogP3.46
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.46
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

4-[(4-bromophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 79022269
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
4-(bromomethyl)-2-fluoro-1-(3-fluoro-4-nitrophenoxy)benzene
CID 107088215
5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 112687927
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
CID 43089834
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
3-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 112558818
3-bromo-2-fluoro-1-[(4-methoxyphenyl)methoxy]-4-nitrobenzene
CID 166491033
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
2-fluoro-4-(4-methoxybutoxy)-1-nitrobenzene
CID 115777007

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene?
The IUPAC name of 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene (CID 78978484) is 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene?
The canonical SMILES for 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene is COc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene?
The InChIKey is WDVLWPWGOFNELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c1-20-14-5-2-9(6-12(14)16)8-21-10-3-4-13(17(18)19)11(15)7-10/h2-7H,8H2,1H3.
What are the key properties of 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene?
2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene has a molecular weight of 295.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene is sourced from PubChem (CID 78978484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).