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

C11H12ClFO — CID 66969518

IUPAC1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene
SMILESC=C(CC)c1ccc(F)c(Cl)c1OC
InChIInChI=1S/C11H12ClFO/c1-4-7(2)8-5-6-9(13)10(12)11(8)14-3/h5-6H,2,4H2,1,3H3
InChIKeyVXUXEKIWGCTQBM-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.91
Rot. Bonds3

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

1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene (PubChem CID 66969518) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene
PubChem CID66969518
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene
SMILESC=C(CC)c1ccc(F)c(Cl)c1OC
InChIInChI=1S/C11H12ClFO/c1-4-7(2)8-5-6-9(13)10(12)11(8)14-3/h5-6H,2,4H2,1,3H3
InChIKeyVXUXEKIWGCTQBM-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene?
The IUPAC name of 1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene (CID 66969518) is 1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene?
The canonical SMILES for 1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene is C=C(CC)c1ccc(F)c(Cl)c1OC.
What is the InChIKey of 1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene?
The InChIKey is VXUXEKIWGCTQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-4-7(2)8-5-6-9(13)10(12)11(8)14-3/h5-6H,2,4H2,1,3H3.
What are the key properties of 1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene?
1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene has a molecular weight of 214.67 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-chloro-4-fluoro-2-methoxybenzene is sourced from PubChem (CID 66969518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).