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

C10H9FO2 — CID 103453675

IUPAC1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1cccc(OC)c1F
InChIInChI=1S/C10H9FO2/c1-3-8(12)7-5-4-6-9(13-2)10(7)11/h3-6H,1H2,2H3
InChIKeyCBCDIXNMILJVSS-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.20
Rot. Bonds3

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

1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one (PubChem CID 103453675) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
PubChem CID103453675
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1cccc(OC)c1F
InChIInChI=1S/C10H9FO2/c1-3-8(12)7-5-4-6-9(13-2)10(7)11/h3-6H,1H2,2H3
InChIKeyCBCDIXNMILJVSS-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2-(2-fluoro-3-methoxyphenyl)but-2-enoic acid
CID 174955352
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
1-(3-fluoro-2-methylphenyl)prop-2-en-1-one
CID 131009168
1-(13-methoxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)prop-2-en-1-one
CID 171392837
1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 116746583

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one (CID 103453675) is 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one is C=CC(=O)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is CBCDIXNMILJVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-3-8(12)7-5-4-6-9(13-2)10(7)11/h3-6H,1H2,2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one?
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one has a molecular weight of 180.18 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 103453675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).