1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone

C20H16F2O3 — CID 19004540

IUPAC1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(OCCOc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C20H16F2O3/c1-13(23)16-11-18(21)20(19(22)12-16)25-9-8-24-17-7-6-14-4-2-3-5-15(14)10-17/h2-7,10-12H,8-9H2,1H3
InChIKeySWLIOLCKSFIWKB-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.78
Rot. Bonds6

About 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone

1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone (PubChem CID 19004540) has the molecular formula C20H16F2O3 and a molecular weight of 342.34 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone
PubChem CID19004540
Molecular FormulaC20H16F2O3
Molecular Weight342.34 g/mol
Exact Mass342.11
IUPAC Name1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(OCCOc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C20H16F2O3/c1-13(23)16-11-18(21)20(19(22)12-16)25-9-8-24-17-7-6-14-4-2-3-5-15(14)10-17/h2-7,10-12H,8-9H2,1H3
InChIKeySWLIOLCKSFIWKB-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone?
The IUPAC name of 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone (CID 19004540) is 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone is CC(=O)c1cc(F)c(OCCOc2ccc3ccccc3c2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone?
The InChIKey is SWLIOLCKSFIWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O3/c1-13(23)16-11-18(21)20(19(22)12-16)25-9-8-24-17-7-6-14-4-2-3-5-15(14)10-17/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone?
1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone has a molecular weight of 342.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone is sourced from PubChem (CID 19004540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).