4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one

C11H10F2O2 — CID 102156316

IUPAC4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one
SMILESCOc1ccccc1C(=O)CC=C(F)F
InChIInChI=1S/C11H10F2O2/c1-15-10-5-3-2-4-8(10)9(14)6-7-11(12)13/h2-5,7H,6H2,1H3
InChIKeyXONWWSZIOSQXBB-UHFFFAOYSA-N
MW212.20 g/mol
LogP3.05
Rot. Bonds4

About 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one

4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one (PubChem CID 102156316) has the molecular formula C11H10F2O2 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one.

Molecular Properties

Compound Name4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one
PubChem CID102156316
Molecular FormulaC11H10F2O2
Molecular Weight212.20 g/mol
Exact Mass212.06
IUPAC Name4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one
SMILESCOc1ccccc1C(=O)CC=C(F)F
InChIInChI=1S/C11H10F2O2/c1-15-10-5-3-2-4-8(10)9(14)6-7-11(12)13/h2-5,7H,6H2,1H3
InChIKeyXONWWSZIOSQXBB-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15664665
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[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
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3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
CID 116581224
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
(E)-4-(2-methoxyphenyl)hex-3-enoic acid
CID 83957656
1-(2-methoxyphenyl)hept-6-en-1-one
CID 159355856
2-(2,6-difluorophenoxy)-1-(2-methoxyphenyl)ethanone
CID 78908110
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
3-(2-methoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94688299
1-(2-methoxyphenyl)undecan-1-one
CID 63411736

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one?
The IUPAC name of 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one (CID 102156316) is 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one.
What is the SMILES notation for 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one?
The canonical SMILES for 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one is COc1ccccc1C(=O)CC=C(F)F.
What is the InChIKey of 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one?
The InChIKey is XONWWSZIOSQXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-15-10-5-3-2-4-8(10)9(14)6-7-11(12)13/h2-5,7H,6H2,1H3.
What are the key properties of 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one?
4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one has a molecular weight of 212.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one is sourced from PubChem (CID 102156316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).