6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one

C17H15FO2 — CID 118606522

IUPAC6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(Oc3ccccc3CF)ccc21
InChIInChI=1S/C17H15FO2/c18-11-13-4-1-2-7-17(13)20-14-8-9-15-12(10-14)5-3-6-16(15)19/h1-2,4,7-10H,3,5-6,11H2
InChIKeyOEDNTTHZXHHRPP-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.47
Rot. Bonds3

About 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 118606522) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID118606522
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(Oc3ccccc3CF)ccc21
InChIInChI=1S/C17H15FO2/c18-11-13-4-1-2-7-17(13)20-14-8-9-15-12(10-14)5-3-6-16(15)19/h1-2,4,7-10H,3,5-6,11H2
InChIKeyOEDNTTHZXHHRPP-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 118606522) is 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(Oc3ccccc3CF)ccc21.
What is the InChIKey of 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is OEDNTTHZXHHRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c18-11-13-4-1-2-7-17(13)20-14-8-9-15-12(10-14)5-3-6-16(15)19/h1-2,4,7-10H,3,5-6,11H2.
What are the key properties of 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 270.30 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 118606522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).