1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone

C10H11FO2 — CID 84658415

IUPAC1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone
SMILESCOc1c(CF)cccc1C(C)=O
InChIInChI=1S/C10H11FO2/c1-7(12)9-5-3-4-8(6-11)10(9)13-2/h3-5H,6H2,1-2H3
InChIKeyUTCKOEMZIIVNEW-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.37
Rot. Bonds3

About 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone

1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone (PubChem CID 84658415) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone
PubChem CID84658415
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone
SMILESCOc1c(CF)cccc1C(C)=O
InChIInChI=1S/C10H11FO2/c1-7(12)9-5-3-4-8(6-11)10(9)13-2/h3-5H,6H2,1-2H3
InChIKeyUTCKOEMZIIVNEW-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-acetyl-2-methoxyphenyl)acetic acid
CID 175626652
1-[3-(fluoromethyl)-2-methylphenyl]ethanone
CID 118460978
3-acetyl-2-methoxybenzaldehyde
CID 148697874
3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
CID 140688179
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
2-[3-(hydroxymethyl)-2-methoxyphenyl]-2-oxoacetic acid
CID 117299870
1-[3-(bromomethyl)-2-methoxyphenyl]propan-1-one
CID 118843636
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
CID 135057699
3-acetyl-2-(trifluoromethoxy)benzoic acid
CID 174762676
1-(6,7-dimethoxynaphthalen-1-yl)ethanone
CID 54066039
2-methoxy-3-pentylbenzoic acid
CID 67238338
1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052369

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone (CID 84658415) is 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone is COc1c(CF)cccc1C(C)=O.
What is the InChIKey of 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone?
The InChIKey is UTCKOEMZIIVNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7(12)9-5-3-4-8(6-11)10(9)13-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone?
1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone has a molecular weight of 182.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone is sourced from PubChem (CID 84658415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).