1-(2-fluoro-5-propoxyphenyl)ethanone

C11H13FO2 — CID 83988784

IUPAC1-(2-fluoro-5-propoxyphenyl)ethanone
SMILESCCCOc1ccc(F)c(C(C)=O)c1
InChIInChI=1S/C11H13FO2/c1-3-6-14-9-4-5-11(12)10(7-9)8(2)13/h4-5,7H,3,6H2,1-2H3
InChIKeyYNEHMUXTDTUKAB-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-fluoro-5-propoxyphenyl)ethanone

1-(2-fluoro-5-propoxyphenyl)ethanone (PubChem CID 83988784) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(2-fluoro-5-propoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-5-propoxyphenyl)ethanone
PubChem CID83988784
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(2-fluoro-5-propoxyphenyl)ethanone
SMILESCCCOc1ccc(F)c(C(C)=O)c1
InChIInChI=1S/C11H13FO2/c1-3-6-14-9-4-5-11(12)10(7-9)8(2)13/h4-5,7H,3,6H2,1-2H3
InChIKeyYNEHMUXTDTUKAB-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-5-propoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297
[4-(2,6-difluoro-4-propoxybenzoyl)oxyphenyl] 2,6-difluoro-4-propoxybenzoate
CID 102521110
(E)-3-(3-butoxyphenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 89063547
2-amino-5-propoxybenzoic acid
CID 12719187
5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171366377
2-methoxy-5-propoxybenzoic acid
CID 82265622
4-butoxy-2-fluorobenzoate
CID 7015592
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone
CID 171635683

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-propoxyphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-5-propoxyphenyl)ethanone (CID 83988784) is 1-(2-fluoro-5-propoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-5-propoxyphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-5-propoxyphenyl)ethanone is CCCOc1ccc(F)c(C(C)=O)c1.
What is the InChIKey of 1-(2-fluoro-5-propoxyphenyl)ethanone?
The InChIKey is YNEHMUXTDTUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-3-6-14-9-4-5-11(12)10(7-9)8(2)13/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-propoxyphenyl)ethanone?
1-(2-fluoro-5-propoxyphenyl)ethanone has a molecular weight of 196.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-propoxyphenyl)ethanone is sourced from PubChem (CID 83988784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).