1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene

C12H12BrFO — CID 171109232

IUPAC1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene
SMILESC=Cc1cc(F)c(OCC2CC2)c(Br)c1
InChIInChI=1S/C12H12BrFO/c1-2-8-5-10(13)12(11(14)6-8)15-7-9-3-4-9/h2,5-6,9H,1,3-4,7H2
InChIKeyGPLCFGQAESFKQH-UHFFFAOYSA-N
MW271.13 g/mol
LogP4.02
Rot. Bonds4

About 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene

1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene (PubChem CID 171109232) has the molecular formula C12H12BrFO and a molecular weight of 271.13 g/mol. Its IUPAC name is 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene
PubChem CID171109232
Molecular FormulaC12H12BrFO
Molecular Weight271.13 g/mol
Exact Mass270.01
IUPAC Name1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene
SMILESC=Cc1cc(F)c(OCC2CC2)c(Br)c1
InChIInChI=1S/C12H12BrFO/c1-2-8-5-10(13)12(11(14)6-8)15-7-9-3-4-9/h2,5-6,9H,1,3-4,7H2
InChIKeyGPLCFGQAESFKQH-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene?
The IUPAC name of 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene (CID 171109232) is 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene is C=Cc1cc(F)c(OCC2CC2)c(Br)c1.
What is the InChIKey of 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene?
The InChIKey is GPLCFGQAESFKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO/c1-2-8-5-10(13)12(11(14)6-8)15-7-9-3-4-9/h2,5-6,9H,1,3-4,7H2.
What are the key properties of 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene?
1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene has a molecular weight of 271.13 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene is sourced from PubChem (CID 171109232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).