3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one

C12H11FO2 — CID 82811166

IUPAC3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1cccc(C2=CC(=O)CC2)c1F
InChIInChI=1S/C12H11FO2/c1-15-11-4-2-3-10(12(11)13)8-5-6-9(14)7-8/h2-4,7H,5-6H2,1H3
InChIKeySOYYVDKAXKSWNZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.58
Rot. Bonds2

About 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one

3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one (PubChem CID 82811166) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
PubChem CID82811166
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1cccc(C2=CC(=O)CC2)c1F
InChIInChI=1S/C12H11FO2/c1-15-11-4-2-3-10(12(11)13)8-5-6-9(14)7-8/h2-4,7H,5-6H2,1H3
InChIKeySOYYVDKAXKSWNZ-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107383000
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3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one
CID 65174629
4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine
CID 83262312
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
3-(2-chlorophenyl)cyclopent-2-en-1-one
CID 39238684
1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 165495433
(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid
CID 82288716
3-[4-hydroxy-1-(2-hydroxyethoxy)-8-methoxynaphthalen-2-yl]cyclopent-2-en-1-one
CID 177413306
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one (CID 82811166) is 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one is COc1cccc(C2=CC(=O)CC2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one?
The InChIKey is SOYYVDKAXKSWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-15-11-4-2-3-10(12(11)13)8-5-6-9(14)7-8/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one?
3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one has a molecular weight of 206.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 82811166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).