1-(2-ethoxyethoxymethyl)-3-fluorobenzene

C11H15FO2 — CID 173202169

IUPAC1-(2-ethoxyethoxymethyl)-3-fluorobenzene
SMILESCCOCCOCc1cccc(F)c1
InChIInChI=1S/C11H15FO2/c1-2-13-6-7-14-9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKeyCDUGLYRVDGQUMC-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.38
Rot. Bonds6

About 1-(2-ethoxyethoxymethyl)-3-fluorobenzene

1-(2-ethoxyethoxymethyl)-3-fluorobenzene (PubChem CID 173202169) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(2-ethoxyethoxymethyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(2-ethoxyethoxymethyl)-3-fluorobenzene
PubChem CID173202169
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(2-ethoxyethoxymethyl)-3-fluorobenzene
SMILESCCOCCOCc1cccc(F)c1
InChIInChI=1S/C11H15FO2/c1-2-13-6-7-14-9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKeyCDUGLYRVDGQUMC-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
CID 115584501
1-[(2,5-difluorophenyl)methyl]-2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-ethylguanidine
CID 111901997
diethyl (3-fluorophenyl)methyl phosphate
CID 68974246
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
1-[2-(chloromethyl)-5-ethoxypentyl]-3-fluorobenzene
CID 66049005
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
8-[(3-fluorophenyl)methoxy]octanoic acid
CID 66874952
CID 87259164
CID 87259164
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine
CID 111681508
1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 87305693

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxymethyl)-3-fluorobenzene?
The IUPAC name of 1-(2-ethoxyethoxymethyl)-3-fluorobenzene (CID 173202169) is 1-(2-ethoxyethoxymethyl)-3-fluorobenzene.
What is the SMILES notation for 1-(2-ethoxyethoxymethyl)-3-fluorobenzene?
The canonical SMILES for 1-(2-ethoxyethoxymethyl)-3-fluorobenzene is CCOCCOCc1cccc(F)c1.
What is the InChIKey of 1-(2-ethoxyethoxymethyl)-3-fluorobenzene?
The InChIKey is CDUGLYRVDGQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-2-13-6-7-14-9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9H2,1H3.
What are the key properties of 1-(2-ethoxyethoxymethyl)-3-fluorobenzene?
1-(2-ethoxyethoxymethyl)-3-fluorobenzene has a molecular weight of 198.24 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxymethyl)-3-fluorobenzene is sourced from PubChem (CID 173202169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).