1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene

C12H17FO — CID 91711845

IUPAC1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
SMILESCC(C)COC(C)c1ccc(F)cc1
InChIInChI=1S/C12H17FO/c1-9(2)8-14-10(3)11-4-6-12(13)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyZMZMUTANZQFRTG-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.56
Rot. Bonds4

About 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene

1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene (PubChem CID 91711845) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
PubChem CID91711845
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
SMILESCC(C)COC(C)c1ccc(F)cc1
InChIInChI=1S/C12H17FO/c1-9(2)8-14-10(3)11-4-6-12(13)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyZMZMUTANZQFRTG-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
CID 62106160
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747
1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene
CID 91717246
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947
1-(4-fluorophenyl)-2-propan-2-yloxyethanol
CID 79567387
1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447005
2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106446982
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
1-(4-fluorophenyl)ethyl acetate
CID 11286838
1-(4-fluorophenyl)ethyl methanesulfonate
CID 23188672
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene?
The IUPAC name of 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene (CID 91711845) is 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene?
The canonical SMILES for 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene is CC(C)COC(C)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene?
The InChIKey is ZMZMUTANZQFRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-9(2)8-14-10(3)11-4-6-12(13)7-5-11/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene?
1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene has a molecular weight of 196.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene is sourced from PubChem (CID 91711845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).