1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene

C11H12FNO3 — CID 107348718

IUPAC1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(COC2CCC2)c1F
InChIInChI=1S/C11H12FNO3/c12-11-8(7-16-9-4-2-5-9)3-1-6-10(11)13(14)15/h1,3,6,9H,2,4-5,7H2
InChIKeyGTFDVQOZGBYYIM-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.80
Rot. Bonds4

About 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene

1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene (PubChem CID 107348718) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene.

Molecular Properties

Compound Name1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
PubChem CID107348718
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(COC2CCC2)c1F
InChIInChI=1S/C11H12FNO3/c12-11-8(7-16-9-4-2-5-9)3-1-6-10(11)13(14)15/h1,3,6,9H,2,4-5,7H2
InChIKeyGTFDVQOZGBYYIM-UHFFFAOYSA-N
XLogP2.80
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.80
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

3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
CID 107349946
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
[2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine
CID 107349967
4-[(2-nitrophenyl)methoxy]piperidine
CID 43346289
2-(cyclopentyloxymethyl)-1-methyl-3-nitrobenzene
CID 122651735
2-bromo-1-[(4-methylcyclohexyl)oxymethyl]-3-nitrobenzene
CID 114048711
2-[(3-methoxycyclohexyl)oxymethyl]-N-methyl-6-nitroaniline
CID 107352397
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline
CID 107352216
2-cyclobutyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349447
N-methyl-2-nitro-6-(oxan-4-yloxymethyl)aniline
CID 107352339
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
CID 159928766
CID 159928766

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene?
The IUPAC name of 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene (CID 107348718) is 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene.
What is the SMILES notation for 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene?
The canonical SMILES for 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene is O=[N+]([O-])c1cccc(COC2CCC2)c1F.
What is the InChIKey of 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene?
The InChIKey is GTFDVQOZGBYYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-11-8(7-16-9-4-2-5-9)3-1-6-10(11)13(14)15/h1,3,6,9H,2,4-5,7H2.
What are the key properties of 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene?
1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene has a molecular weight of 225.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene is sourced from PubChem (CID 107348718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).