1-(2-ethoxyundecan-2-yl)-3-fluorobenzene

C19H31FO — CID 158038244

IUPAC1-(2-ethoxyundecan-2-yl)-3-fluorobenzene
SMILESCCCCCCCCCC(C)(OCC)c1cccc(F)c1
InChIInChI=1S/C19H31FO/c1-4-6-7-8-9-10-11-15-19(3,21-5-2)17-13-12-14-18(20)16-17/h12-14,16H,4-11,15H2,1-3H3
InChIKeyFIAMNQYZCDFGCO-UHFFFAOYSA-N
MW294.45 g/mol
LogP6.22
Rot. Bonds11

About 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene

1-(2-ethoxyundecan-2-yl)-3-fluorobenzene (PubChem CID 158038244) has the molecular formula C19H31FO and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(2-ethoxyundecan-2-yl)-3-fluorobenzene
PubChem CID158038244
Molecular FormulaC19H31FO
Molecular Weight294.45 g/mol
Exact Mass294.24
IUPAC Name1-(2-ethoxyundecan-2-yl)-3-fluorobenzene
SMILESCCCCCCCCCC(C)(OCC)c1cccc(F)c1
InChIInChI=1S/C19H31FO/c1-4-6-7-8-9-10-11-15-19(3,21-5-2)17-13-12-14-18(20)16-17/h12-14,16H,4-11,15H2,1-3H3
InChIKeyFIAMNQYZCDFGCO-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyundecan-2-yl)-1,3,5-trifluorobenzene
CID 162115908
1-[1-chloro-2-(chloromethyl)octan-2-yl]-3-fluorobenzene
CID 79453317
2-(3-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79449979
1-[bromo(diethoxy)methyl]-3-fluorobenzene
CID 66965298
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
(1-ethoxy-1-phenyldecyl)benzene
CID 150440609
2-(3-fluorophenyl)-2-methoxypropan-1-ol
CID 105441079
2-phenylheptan-2-yloxysilane
CID 173162133
1-fluoro-3-[7-(triethoxymethyl)pentadecyl]benzene
CID 172751050
1-[2-(1,1-dimethoxydecoxy)ethyl]-3-fluorobenzene
CID 150948230
1-prop-1-en-2-yl-3-[2-[2-(3-prop-1-en-2-ylphenyl)heptan-2-ylperoxy]heptan-2-yl]benzene
CID 174913877
2-ethoxy-2-phenyldecan-1-ol
CID 66778528

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene?
The IUPAC name of 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene (CID 158038244) is 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene.
What is the SMILES notation for 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene?
The canonical SMILES for 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene is CCCCCCCCCC(C)(OCC)c1cccc(F)c1.
What is the InChIKey of 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene?
The InChIKey is FIAMNQYZCDFGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FO/c1-4-6-7-8-9-10-11-15-19(3,21-5-2)17-13-12-14-18(20)16-17/h12-14,16H,4-11,15H2,1-3H3.
What are the key properties of 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene?
1-(2-ethoxyundecan-2-yl)-3-fluorobenzene has a molecular weight of 294.45 g/mol, XLogP of 6.22, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyundecan-2-yl)-3-fluorobenzene is sourced from PubChem (CID 158038244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).