3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol

C11H12FNO5 — CID 104673652

IUPAC3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H12FNO5/c1-17-11-8(14)5-10(11)18-9-3-2-6(13(15)16)4-7(9)12/h2-4,8,10-11,14H,5H2,1H3
InChIKeyYTKJNENIGVFGGO-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.26
Rot. Bonds4

About 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol

3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol (PubChem CID 104673652) has the molecular formula C11H12FNO5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol
PubChem CID104673652
Molecular FormulaC11H12FNO5
Molecular Weight257.22 g/mol
Exact Mass257.07
IUPAC Name3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H12FNO5/c1-17-11-8(14)5-10(11)18-9-3-2-6(13(15)16)4-7(9)12/h2-4,8,10-11,14H,5H2,1H3
InChIKeyYTKJNENIGVFGGO-UHFFFAOYSA-N
XLogP1.26
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
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

cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol
CID 139548238
1-(3-bromo-2-ethoxycyclobutyl)oxy-2-fluoro-4-nitrobenzene
CID 113439946
2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol
CID 113439670
2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634184
trans-bis(2-fluoro-4-nitrophenyl) (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 156761766
3-(3-bromo-5-nitrophenoxy)-2-methoxycyclobutan-1-ol
CID 103589555
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
3-(2-fluoro-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 141181782
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
1-[3-(2-fluoro-4-nitrophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropan-2-ol
CID 77161954
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
(2S,3R,4S,5S,6R)-2-(2-fluoro-4-nitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 53308502

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol?
The IUPAC name of 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol (CID 104673652) is 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol.
What is the SMILES notation for 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol?
The canonical SMILES for 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol is COC1C(O)CC1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol?
The InChIKey is YTKJNENIGVFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO5/c1-17-11-8(14)5-10(11)18-9-3-2-6(13(15)16)4-7(9)12/h2-4,8,10-11,14H,5H2,1H3.
What are the key properties of 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol?
3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol has a molecular weight of 257.22 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol is sourced from PubChem (CID 104673652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).