1-ethoxy-2-fluoro-4-prop-1-enylbenzene

C11H13FO — CID 58719170

IUPAC1-ethoxy-2-fluoro-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(OCC)c(F)c1
InChIInChI=1S/C11H13FO/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8H,4H2,1-2H3
InChIKeyDZJSHPBZAXCCSI-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.26
Rot. Bonds3

About 1-ethoxy-2-fluoro-4-prop-1-enylbenzene

1-ethoxy-2-fluoro-4-prop-1-enylbenzene (PubChem CID 58719170) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-prop-1-enylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-prop-1-enylbenzene
PubChem CID58719170
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-ethoxy-2-fluoro-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(OCC)c(F)c1
InChIInChI=1S/C11H13FO/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8H,4H2,1-2H3
InChIKeyDZJSHPBZAXCCSI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate
CID 59638882
1-ethoxy-2,3-difluoro-4-[4-[2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]ethyl]phenyl]benzene
CID 58140862
[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
CID 46865359
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470948
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470533

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-prop-1-enylbenzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-prop-1-enylbenzene (CID 58719170) is 1-ethoxy-2-fluoro-4-prop-1-enylbenzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-prop-1-enylbenzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-prop-1-enylbenzene is CC=Cc1ccc(OCC)c(F)c1.
What is the InChIKey of 1-ethoxy-2-fluoro-4-prop-1-enylbenzene?
The InChIKey is DZJSHPBZAXCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8H,4H2,1-2H3.
What are the key properties of 1-ethoxy-2-fluoro-4-prop-1-enylbenzene?
1-ethoxy-2-fluoro-4-prop-1-enylbenzene has a molecular weight of 180.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-prop-1-enylbenzene is sourced from PubChem (CID 58719170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).