1-fluoro-2-(2-pentoxyethyl)benzene

C13H19FO — CID 91695654

IUPAC1-fluoro-2-(2-pentoxyethyl)benzene
SMILESCCCCCOCCc1ccccc1F
InChIInChI=1S/C13H19FO/c1-2-3-6-10-15-11-9-12-7-4-5-8-13(12)14/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKeyHZKUGKZZZJDMJL-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.58
Rot. Bonds7

About 1-fluoro-2-(2-pentoxyethyl)benzene

1-fluoro-2-(2-pentoxyethyl)benzene (PubChem CID 91695654) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-fluoro-2-(2-pentoxyethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-pentoxyethyl)benzene
PubChem CID91695654
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-fluoro-2-(2-pentoxyethyl)benzene
SMILESCCCCCOCCc1ccccc1F
InChIInChI=1S/C13H19FO/c1-2-3-6-10-15-11-9-12-7-4-5-8-13(12)14/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKeyHZKUGKZZZJDMJL-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.58
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

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CID 20721019
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CID 91693275
4-O-[2-(2-fluorophenyl)ethyl] 1-O-hexadecyl butanedioate
CID 91711428
fluorobenzene;1-hexoxyhexane
CID 174664464
2-pentoxyethylbenzene
CID 3022447
3-(2-decoxyethyl)benzene-1,2-diol
CID 154435142
1-O-butyl 4-O-[2-(2-fluorophenyl)ethyl] butanedioate
CID 91711418
1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene
CID 87154858
1-(2-butoxyethyl)-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111361650
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
2-(2-butoxyethyl)-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 111362219
1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane
CID 174924769

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-pentoxyethyl)benzene?
The IUPAC name of 1-fluoro-2-(2-pentoxyethyl)benzene (CID 91695654) is 1-fluoro-2-(2-pentoxyethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(2-pentoxyethyl)benzene?
The canonical SMILES for 1-fluoro-2-(2-pentoxyethyl)benzene is CCCCCOCCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(2-pentoxyethyl)benzene?
The InChIKey is HZKUGKZZZJDMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-2-3-6-10-15-11-9-12-7-4-5-8-13(12)14/h4-5,7-8H,2-3,6,9-11H2,1H3.
What are the key properties of 1-fluoro-2-(2-pentoxyethyl)benzene?
1-fluoro-2-(2-pentoxyethyl)benzene has a molecular weight of 210.29 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-pentoxyethyl)benzene is sourced from PubChem (CID 91695654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).