2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane

C12H13FO2 — CID 166904690

IUPAC2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane
SMILESCC=Cc1c(F)cccc1C1OCCO1
InChIInChI=1S/C12H13FO2/c1-2-4-9-10(5-3-6-11(9)13)12-14-7-8-15-12/h2-6,12H,7-8H2,1H3
InChIKeyFLQSFGJEDRYAAE-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.90
Rot. Bonds2

About 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane

2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane (PubChem CID 166904690) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane
PubChem CID166904690
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane
SMILESCC=Cc1c(F)cccc1C1OCCO1
InChIInChI=1S/C12H13FO2/c1-2-4-9-10(5-3-6-11(9)13)12-14-7-8-15-12/h2-6,12H,7-8H2,1H3
InChIKeyFLQSFGJEDRYAAE-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
CID 169081956
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane
CID 163580728
2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
CID 174359153
2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane
CID 91802357
2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane
CID 90061889
4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-en-1-amine
CID 170487615
4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde
CID 59255459
2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
CID 162421197
3-fluoro-2-(2,2,2-trifluoroethyl)benzaldehyde;2-[3-fluoro-2-(2,2,2-trifluoroethyl)phenyl]-1,3-dioxolane
CID 163530906
2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
CID 122548411
1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene
CID 89271793

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane (CID 166904690) is 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane is CC=Cc1c(F)cccc1C1OCCO1.
What is the InChIKey of 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane?
The InChIKey is FLQSFGJEDRYAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-2-4-9-10(5-3-6-11(9)13)12-14-7-8-15-12/h2-6,12H,7-8H2,1H3.
What are the key properties of 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane?
2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane has a molecular weight of 208.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane is sourced from PubChem (CID 166904690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).