ethane;1-ethoxy-4-fluorobenzene

C12H21FO — CID 143106824

IUPACethane;1-ethoxy-4-fluorobenzene
SMILESCC.CC.CCOc1ccc(F)cc1
InChIInChI=1S/C8H9FO.2C2H6/c1-2-10-8-5-3-7(9)4-6-8;2*1-2/h3-6H,2H2,1H3;2*1-2H3
InChIKeyIYYBDYGBKPLYFP-UHFFFAOYSA-N
MW200.30 g/mol
LogP4.28
Rot. Bonds2

About ethane;1-ethoxy-4-fluorobenzene

ethane;1-ethoxy-4-fluorobenzene (PubChem CID 143106824) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is ethane;1-ethoxy-4-fluorobenzene.

Molecular Properties

Compound Nameethane;1-ethoxy-4-fluorobenzene
PubChem CID143106824
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Nameethane;1-ethoxy-4-fluorobenzene
SMILESCC.CC.CCOc1ccc(F)cc1
InChIInChI=1S/C8H9FO.2C2H6/c1-2-10-8-5-3-7(9)4-6-8;2*1-2/h3-6H,2H2,1H3;2*1-2H3
InChIKeyIYYBDYGBKPLYFP-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 14744785
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 11380154
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 64769720
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-4-fluorobenzene?
The IUPAC name of ethane;1-ethoxy-4-fluorobenzene (CID 143106824) is ethane;1-ethoxy-4-fluorobenzene.
What is the SMILES notation for ethane;1-ethoxy-4-fluorobenzene?
The canonical SMILES for ethane;1-ethoxy-4-fluorobenzene is CC.CC.CCOc1ccc(F)cc1.
What is the InChIKey of ethane;1-ethoxy-4-fluorobenzene?
The InChIKey is IYYBDYGBKPLYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO.2C2H6/c1-2-10-8-5-3-7(9)4-6-8;2*1-2/h3-6H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethoxy-4-fluorobenzene?
ethane;1-ethoxy-4-fluorobenzene has a molecular weight of 200.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-4-fluorobenzene is sourced from PubChem (CID 143106824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).