2-fluoro-4-(methoxymethoxy)-1-pentylbenzene

C13H19FO2 — CID 58719021

IUPAC2-fluoro-4-(methoxymethoxy)-1-pentylbenzene
SMILESCCCCCc1ccc(OCOC)cc1F
InChIInChI=1S/C13H19FO2/c1-3-4-5-6-11-7-8-12(9-13(11)14)16-10-15-2/h7-9H,3-6,10H2,1-2H3
InChIKeyRCGYQROUJLCTNC-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.54
Rot. Bonds7

About 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene

2-fluoro-4-(methoxymethoxy)-1-pentylbenzene (PubChem CID 58719021) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(methoxymethoxy)-1-pentylbenzene
PubChem CID58719021
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name2-fluoro-4-(methoxymethoxy)-1-pentylbenzene
SMILESCCCCCc1ccc(OCOC)cc1F
InChIInChI=1S/C13H19FO2/c1-3-4-5-6-11-7-8-12(9-13(11)14)16-10-15-2/h7-9H,3-6,10H2,1-2H3
InChIKeyRCGYQROUJLCTNC-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-1-pentylbenzene
CID 20770613
4-butoxy-1-[2-[4-[2-(4-butoxy-2-fluorophenyl)ethyl]phenyl]ethyl]-2-fluorobenzene
CID 19008316
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2,3-difluoro-1-[4-[(3-fluoro-4-propylphenoxy)methyl]phenyl]-4-pentylbenzene
CID 58141396
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
5-ethoxy-2-hexylphenol
CID 3021981
2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
CID 23391170
4-[[2-(1,5-dimethoxypentan-2-yl)phenyl]methoxy]-2-fluoro-1-pentylbenzene;ethane;methane
CID 143156909
1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene
CID 146377288
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
1-(methoxymethoxy)-3-octoxybenzene
CID 175530197
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene?
The IUPAC name of 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene (CID 58719021) is 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene.
What is the SMILES notation for 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene?
The canonical SMILES for 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene is CCCCCc1ccc(OCOC)cc1F.
What is the InChIKey of 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene?
The InChIKey is RCGYQROUJLCTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-3-4-5-6-11-7-8-12(9-13(11)14)16-10-15-2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene?
2-fluoro-4-(methoxymethoxy)-1-pentylbenzene has a molecular weight of 226.29 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methoxymethoxy)-1-pentylbenzene is sourced from PubChem (CID 58719021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).