1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene

C7H4F3NO3 — CID 118852839

IUPAC1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1cc(OCF)c(F)cc1F
InChIInChI=1S/C7H4F3NO3/c8-3-14-7-2-6(11(12)13)4(9)1-5(7)10/h1-2H,3H2
InChIKeyLLCACZWEUBLCGO-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.18
Rot. Bonds3

About 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene

1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene (PubChem CID 118852839) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene
PubChem CID118852839
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1cc(OCF)c(F)cc1F
InChIInChI=1S/C7H4F3NO3/c8-3-14-7-2-6(11(12)13)4(9)1-5(7)10/h1-2H,3H2
InChIKeyLLCACZWEUBLCGO-UHFFFAOYSA-N
XLogP2.18
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-bromo-5-fluoro-4-(fluoromethoxy)-2-nitrobenzene
CID 118847379
1-(3-chloropropoxy)-2,5-difluoro-4-nitrobenzene
CID 63599005
1-bromo-2-fluoro-5-(fluoromethoxy)-4-nitrobenzene
CID 118807797
1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
CID 118852889
2-(2,5-difluoro-4-nitrophenoxy)acetic acid
CID 63600039
3-(2,5-difluoro-4-nitrophenoxy)propan-1-ol
CID 63597608
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
(2,4-difluoro-5-nitrophenyl) acetate
CID 174766654
1-but-3-ynoxy-2,5-difluoro-4-nitrobenzene
CID 63655228
3-(2,5-difluoro-4-nitrophenoxy)propanal
CID 63597616
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene
CID 13281435

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene?
The IUPAC name of 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene (CID 118852839) is 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene.
What is the SMILES notation for 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene?
The canonical SMILES for 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene is O=[N+]([O-])c1cc(OCF)c(F)cc1F.
What is the InChIKey of 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene?
The InChIKey is LLCACZWEUBLCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-3-14-7-2-6(11(12)13)4(9)1-5(7)10/h1-2H,3H2.
What are the key properties of 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene?
1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene has a molecular weight of 207.11 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene is sourced from PubChem (CID 118852839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).