1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene

C13H17FO2 — CID 165139197

IUPAC1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene
SMILESCOC(OC)c1ccc(C2CCC2)c(F)c1
InChIInChI=1S/C13H17FO2/c1-15-13(16-2)10-6-7-11(12(14)8-10)9-4-3-5-9/h6-9,13H,3-5H2,1-2H3
InChIKeyGJBPXAYWHKTEBU-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.38
Rot. Bonds4

About 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene

1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene (PubChem CID 165139197) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene
PubChem CID165139197
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene
SMILESCOC(OC)c1ccc(C2CCC2)c(F)c1
InChIInChI=1S/C13H17FO2/c1-15-13(16-2)10-6-7-11(12(14)8-10)9-4-3-5-9/h6-9,13H,3-5H2,1-2H3
InChIKeyGJBPXAYWHKTEBU-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-cyclobutyl-2-fluorobenzene
CID 130893148
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
4-bromo-1-cyclopentyl-2-fluorobenzene
CID 122471293
2-cyclopentyl-4-(dimethoxymethyl)pyridine
CID 174876576
1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine
CID 168515741
N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide
CID 146590223
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene
CID 14793793
(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114601272
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
4-cyclopropyl-3-fluorophenol
CID 83131228
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene?
The IUPAC name of 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene (CID 165139197) is 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene.
What is the SMILES notation for 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene?
The canonical SMILES for 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene is COC(OC)c1ccc(C2CCC2)c(F)c1.
What is the InChIKey of 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene?
The InChIKey is GJBPXAYWHKTEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-15-13(16-2)10-6-7-11(12(14)8-10)9-4-3-5-9/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene?
1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene has a molecular weight of 224.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene is sourced from PubChem (CID 165139197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).