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

C12H14BrFO2 — CID 68574881

IUPAC2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane
SMILESFc1cc(Br)ccc1CCCC1OCCO1
InChIInChI=1S/C12H14BrFO2/c13-10-5-4-9(11(14)8-10)2-1-3-12-15-6-7-16-12/h4-5,8,12H,1-3,6-7H2
InChIKeyDFUUHIPZTSSPKH-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.28
Rot. Bonds4

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

2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane (PubChem CID 68574881) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane
PubChem CID68574881
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane
SMILESFc1cc(Br)ccc1CCCC1OCCO1
InChIInChI=1S/C12H14BrFO2/c13-10-5-4-9(11(14)8-10)2-1-3-12-15-6-7-16-12/h4-5,8,12H,1-3,6-7H2
InChIKeyDFUUHIPZTSSPKH-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene
CID 164578261
2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane
CID 155139396
(2S)-2-[(4-bromo-2-fluorophenyl)methoxymethyl]oxirane
CID 97180097
6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
CID 64515603
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane
CID 171578928
4-bromo-1-(4-bromoheptyl)-2-fluorobenzene
CID 64508963
CID 88874839
CID 88874839
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 43438813
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane (CID 68574881) is 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane is Fc1cc(Br)ccc1CCCC1OCCO1.
What is the InChIKey of 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane?
The InChIKey is DFUUHIPZTSSPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-10-5-4-9(11(14)8-10)2-1-3-12-15-6-7-16-12/h4-5,8,12H,1-3,6-7H2.
What are the key properties of 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane?
2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane has a molecular weight of 289.14 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane is sourced from PubChem (CID 68574881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).