1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone

C16H14F2O3 — CID 112787668

IUPAC1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCCOc1ccc(F)cc1
InChIInChI=1S/C16H14F2O3/c1-11(19)15-10-13(18)4-7-16(15)21-9-8-20-14-5-2-12(17)3-6-14/h2-7,10H,8-9H2,1H3
InChIKeyKKNVQRZRABJBRA-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.63
Rot. Bonds6

About 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone

1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone (PubChem CID 112787668) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
PubChem CID112787668
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCCOc1ccc(F)cc1
InChIInChI=1S/C16H14F2O3/c1-11(19)15-10-13(18)4-7-16(15)21-9-8-20-14-5-2-12(17)3-6-14/h2-7,10H,8-9H2,1H3
InChIKeyKKNVQRZRABJBRA-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]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-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767
1-[2-[2-(4-bromophenoxy)ethoxy]-5-fluorophenyl]ethanone
CID 78906384
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 78925927
1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone
CID 62400880
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
CID 107007278
4-(2-acetyl-4-fluorophenoxy)-2,2-dimethylbutanenitrile
CID 79035303
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[2-[2-(3-bromophenoxy)ethoxy]-4-fluorophenyl]ethanone
CID 63069027
1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone (CID 112787668) is 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone is CC(=O)c1cc(F)ccc1OCCOc1ccc(F)cc1.
What is the InChIKey of 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone?
The InChIKey is KKNVQRZRABJBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-11(19)15-10-13(18)4-7-16(15)21-9-8-20-14-5-2-12(17)3-6-14/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone?
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone has a molecular weight of 292.28 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone is sourced from PubChem (CID 112787668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).