1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene

C11H12ClFO — CID 69387949

IUPAC1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene
SMILESCC=C(C)c1ccc(Cl)c(F)c1OC
InChIInChI=1S/C11H12ClFO/c1-4-7(2)8-5-6-9(12)10(13)11(8)14-3/h4-6H,1-3H3
InChIKeyFXUPFWUHRQJPJI-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.91
Rot. Bonds2

About 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene

1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene (PubChem CID 69387949) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene
PubChem CID69387949
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene
SMILESCC=C(C)c1ccc(Cl)c(F)c1OC
InChIInChI=1S/C11H12ClFO/c1-4-7(2)8-5-6-9(12)10(13)11(8)14-3/h4-6H,1-3H3
InChIKeyFXUPFWUHRQJPJI-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene (CID 69387949) is 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene is CC=C(C)c1ccc(Cl)c(F)c1OC.
What is the InChIKey of 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene?
The InChIKey is FXUPFWUHRQJPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-4-7(2)8-5-6-9(12)10(13)11(8)14-3/h4-6H,1-3H3.
What are the key properties of 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene?
1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene has a molecular weight of 214.67 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 69387949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).