1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone

C17H16F2O3 — CID 112769767

IUPAC1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCCCOc1ccc(F)cc1
InChIInChI=1S/C17H16F2O3/c1-12(20)16-11-14(19)5-8-17(16)22-10-2-9-21-15-6-3-13(18)4-7-15/h3-8,11H,2,9-10H2,1H3
InChIKeyAWERZNLELDCWMR-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.02
Rot. Bonds7

About 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone

1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone (PubChem CID 112769767) has the molecular formula C17H16F2O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
PubChem CID112769767
Molecular FormulaC17H16F2O3
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCCCOc1ccc(F)cc1
InChIInChI=1S/C17H16F2O3/c1-12(20)16-11-14(19)5-8-17(16)22-10-2-9-21-15-6-3-13(18)4-7-15/h3-8,11H,2,9-10H2,1H3
InChIKeyAWERZNLELDCWMR-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
1-[2-[2-(4-bromophenoxy)ethoxy]-5-fluorophenyl]ethanone
CID 78906384
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
1-[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 78925927
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
CID 107007278
2-butoxy-5-fluorobenzoyl chloride
CID 91656743
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
4-(2-acetyl-4-fluorophenoxy)-2,2-dimethylbutanenitrile
CID 79035303
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone
CID 62400880
1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone (CID 112769767) is 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone is CC(=O)c1cc(F)ccc1OCCCOc1ccc(F)cc1.
What is the InChIKey of 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone?
The InChIKey is AWERZNLELDCWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3/c1-12(20)16-11-14(19)5-8-17(16)22-10-2-9-21-15-6-3-13(18)4-7-15/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone?
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone has a molecular weight of 306.31 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone is sourced from PubChem (CID 112769767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).