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

C17H15FO — CID 10777325

IUPAC2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CCC1(F)Cc1ccccc1
InChIInChI=1S/C17H15FO/c18-17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16(17)19/h1-9H,10-12H2
InChIKeyQTXNXKPCHDSWJY-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.77
Rot. Bonds2

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

2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one (PubChem CID 10777325) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
PubChem CID10777325
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CCC1(F)Cc1ccccc1
InChIInChI=1S/C17H15FO/c18-17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16(17)19/h1-9H,10-12H2
InChIKeyQTXNXKPCHDSWJY-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one (CID 10777325) is 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one is O=C1c2ccccc2CCC1(F)Cc1ccccc1.
What is the InChIKey of 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one?
The InChIKey is QTXNXKPCHDSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c18-17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16(17)19/h1-9H,10-12H2.
What are the key properties of 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one?
2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one has a molecular weight of 254.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 10777325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).