5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene

C10H10BrFO — CID 168883109

IUPAC5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(F)cc(Br)cc1OC
InChIInChI=1S/C10H10BrFO/c1-6(2)10-8(12)4-7(11)5-9(10)13-3/h4-5H,1H2,2-3H3
InChIKeyTXMUURYGLMNJOW-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.63
Rot. Bonds2

About 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene

5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene (PubChem CID 168883109) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene
PubChem CID168883109
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(F)cc(Br)cc1OC
InChIInChI=1S/C10H10BrFO/c1-6(2)10-8(12)4-7(11)5-9(10)13-3/h4-5H,1H2,2-3H3
InChIKeyTXMUURYGLMNJOW-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

triacetyloxy-(4-bromo-2-fluoro-6-methoxyphenyl)phosphanium
CID 134219206
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 115781775
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
5-bromo-2-fluoro-1-methoxy-3-methylbenzene
CID 74891119
2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene
CID 171522333
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
5-bromo-2-fluoro-1-iodo-3-methoxybenzene
CID 162421202

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene?
The IUPAC name of 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene (CID 168883109) is 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene is C=C(C)c1c(F)cc(Br)cc1OC.
What is the InChIKey of 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene?
The InChIKey is TXMUURYGLMNJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-6(2)10-8(12)4-7(11)5-9(10)13-3/h4-5H,1H2,2-3H3.
What are the key properties of 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene?
5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene has a molecular weight of 245.09 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 168883109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).