2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene

C11H13FO — CID 103988421

IUPAC2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cccc(C)c1F
InChIInChI=1S/C11H13FO/c1-8(2)7-13-10-6-4-5-9(3)11(10)12/h4-6H,1,7H2,2-3H3
InChIKeyXZFCURXTEMOXDM-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.09
Rot. Bonds3

About 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene

2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene (PubChem CID 103988421) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
PubChem CID103988421
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cccc(C)c1F
InChIInChI=1S/C11H13FO/c1-8(2)7-13-10-6-4-5-9(3)11(10)12/h4-6H,1,7H2,2-3H3
InChIKeyXZFCURXTEMOXDM-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
CID 103988445
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659479
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 117294143
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene (CID 103988421) is 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene is C=C(C)COc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene?
The InChIKey is XZFCURXTEMOXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-8(2)7-13-10-6-4-5-9(3)11(10)12/h4-6H,1,7H2,2-3H3.
What are the key properties of 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene?
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene has a molecular weight of 180.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 103988421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).