2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone

C10H13FO2 — CID 149411620

IUPAC2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone
SMILESCOC1=CCC(C)C=C1C(=O)CF
InChIInChI=1S/C10H13FO2/c1-7-3-4-10(13-2)8(5-7)9(12)6-11/h4-5,7H,3,6H2,1-2H3
InChIKeyYRJFIGGFJSNZGF-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.02
Rot. Bonds3

About 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone

2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone (PubChem CID 149411620) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone.

Molecular Properties

Compound Name2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone
PubChem CID149411620
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone
SMILESCOC1=CCC(C)C=C1C(=O)CF
InChIInChI=1S/C10H13FO2/c1-7-3-4-10(13-2)8(5-7)9(12)6-11/h4-5,7H,3,6H2,1-2H3
InChIKeyYRJFIGGFJSNZGF-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-sulfanylethanone
CID 143106673
methyl 3-methyl-5-oxocyclopentene-1-carboxylate
CID 90775722
diethyl 4-methylcyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809203
1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 143188882
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
8-fluoro-2-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one
CID 144810855
2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171284
[(E)-[1-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2,4-dimethyl-3-oxopentylidene]amino] formate
CID 154969242
2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone
CID 15043870
1-(4-methylcyclohepta-1,5-dien-1-yl)propan-1-one
CID 91528802
(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol
CID 163678798
ethyl 2-(7-acetyl-5-methyl-4,5-dihydroazocin-2-yl)-2,2-difluoroacetate
CID 162575827

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone?
The IUPAC name of 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone (CID 149411620) is 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone.
What is the SMILES notation for 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone?
The canonical SMILES for 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone is COC1=CCC(C)C=C1C(=O)CF.
What is the InChIKey of 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone?
The InChIKey is YRJFIGGFJSNZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7-3-4-10(13-2)8(5-7)9(12)6-11/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone?
2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone has a molecular weight of 184.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone is sourced from PubChem (CID 149411620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).