2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane

C12H12BrFO2 — CID 69075966

IUPAC2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane
SMILESC=C(CC1OCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFO2/c1-8(6-12-15-4-5-16-12)10-3-2-9(13)7-11(10)14/h2-3,7,12H,1,4-6H2
InChIKeyWCUCXEGNIHEJBV-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.36
Rot. Bonds3

About 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane

2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane (PubChem CID 69075966) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane
PubChem CID69075966
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane
SMILESC=C(CC1OCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFO2/c1-8(6-12-15-4-5-16-12)10-3-2-9(13)7-11(10)14/h2-3,7,12H,1,4-6H2
InChIKeyWCUCXEGNIHEJBV-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
1-Bromo-3-(2,2-diethoxyethyl)benzene
CID 68857318
2-(4-Bromo-3-fluorophenyl)-1,3-dioxolane
CID 131524181
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852
1-Bromo-4-(2,2-diethoxyethyl)benzene
CID 86673157
2-(1,3-Dioxolan-2-ylmethyl)-1-fluorobenzene
CID 2758702
2-[(3-Fluorophenyl)methyl]-1,3-dioxolane
CID 2758703
1-Bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene
CID 11845755
7-(4-Bromo-2,5-difluorophenyl)-1,4-dioxaspiro[4.4]nonane
CID 14770852
2-(5-Bromo-2-fluorophenyl)-1,3-dioxolane
CID 18455585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane (CID 69075966) is 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane is C=C(CC1OCCO1)c1ccc(Br)cc1F.
What is the InChIKey of 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane?
The InChIKey is WCUCXEGNIHEJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c1-8(6-12-15-4-5-16-12)10-3-2-9(13)7-11(10)14/h2-3,7,12H,1,4-6H2.
What are the key properties of 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane?
2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane has a molecular weight of 287.13 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-fluorophenyl)prop-2-enyl]-1,3-dioxolane is sourced from PubChem (CID 69075966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).