4-butyl-2-fluoro-1-(methoxymethoxy)benzene

C12H17FO2 — CID 58718899

IUPAC4-butyl-2-fluoro-1-(methoxymethoxy)benzene
SMILESCCCCc1ccc(OCOC)c(F)c1
InChIInChI=1S/C12H17FO2/c1-3-4-5-10-6-7-12(11(13)8-10)15-9-14-2/h6-8H,3-5,9H2,1-2H3
InChIKeyIBISVDOKDIVFHB-UHFFFAOYSA-N
MW212.26 g/mol
LogP3.15
Rot. Bonds6

About 4-butyl-2-fluoro-1-(methoxymethoxy)benzene

4-butyl-2-fluoro-1-(methoxymethoxy)benzene (PubChem CID 58718899) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-butyl-2-fluoro-1-(methoxymethoxy)benzene.

Molecular Properties

Compound Name4-butyl-2-fluoro-1-(methoxymethoxy)benzene
PubChem CID58718899
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name4-butyl-2-fluoro-1-(methoxymethoxy)benzene
SMILESCCCCc1ccc(OCOC)c(F)c1
InChIInChI=1S/C12H17FO2/c1-3-4-5-10-6-7-12(11(13)8-10)15-9-14-2/h6-8H,3-5,9H2,1-2H3
InChIKeyIBISVDOKDIVFHB-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.15
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

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CID 89118064
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6-butyl-1-[4-[6-butyl-2,3-bis(methoxymethoxy)naphthalen-1-yl]phenyl]-2,3-bis(methoxymethoxy)naphthalene
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2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-fluoro-1-(methoxymethoxy)benzene?
The IUPAC name of 4-butyl-2-fluoro-1-(methoxymethoxy)benzene (CID 58718899) is 4-butyl-2-fluoro-1-(methoxymethoxy)benzene.
What is the SMILES notation for 4-butyl-2-fluoro-1-(methoxymethoxy)benzene?
The canonical SMILES for 4-butyl-2-fluoro-1-(methoxymethoxy)benzene is CCCCc1ccc(OCOC)c(F)c1.
What is the InChIKey of 4-butyl-2-fluoro-1-(methoxymethoxy)benzene?
The InChIKey is IBISVDOKDIVFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-3-4-5-10-6-7-12(11(13)8-10)15-9-14-2/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 4-butyl-2-fluoro-1-(methoxymethoxy)benzene?
4-butyl-2-fluoro-1-(methoxymethoxy)benzene has a molecular weight of 212.26 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-fluoro-1-(methoxymethoxy)benzene is sourced from PubChem (CID 58718899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).