2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one

C16H13FO — CID 101465703

IUPAC2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CCC1(F)c1ccccc1
InChIInChI=1S/C16H13FO/c17-16(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)15(16)18/h1-9H,10-11H2
InChIKeyONEZJMNBMOAMCF-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.68
Rot. Bonds1

About 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one

2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one (PubChem CID 101465703) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one
PubChem CID101465703
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CCC1(F)c1ccccc1
InChIInChI=1S/C16H13FO/c17-16(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)15(16)18/h1-9H,10-11H2
InChIKeyONEZJMNBMOAMCF-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one (CID 101465703) is 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one is O=C1c2ccccc2CCC1(F)c1ccccc1.
What is the InChIKey of 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one?
The InChIKey is ONEZJMNBMOAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO/c17-16(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)15(16)18/h1-9H,10-11H2.
What are the key properties of 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one?
2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one has a molecular weight of 240.28 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 101465703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).