1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one

C12H15FO2 — CID 79197747

IUPAC1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one
SMILESCOC(C)(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-12(2,15-3)11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChIKeyFGZXVCBXNSCJFQ-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one

1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one (PubChem CID 79197747) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one
PubChem CID79197747
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one
SMILESCOC(C)(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-12(2,15-3)11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChIKeyFGZXVCBXNSCJFQ-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 79202389
1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-one
CID 116709501
1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one
CID 114228965
1-(4-fluorophenyl)butane-2,3-dione
CID 83696223
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
2-(4-fluorophenyl)-N-(methoxymethoxy)acetamide
CID 110495462
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
[(E)-but-2-enyl] 2-(4-fluorophenyl)acetate
CID 78830523
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
2-[(4-fluorophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899520
2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476089
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one (CID 79197747) is 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one is COC(C)(C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one?
The InChIKey is FGZXVCBXNSCJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-12(2,15-3)11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one?
1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methoxy-3-methylbutan-2-one is sourced from PubChem (CID 79197747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).