2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one

C18H19FO — CID 63409962

IUPAC2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
SMILESCCC(CC)(C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H19FO/c1-3-18(4-2,15-10-6-5-7-11-15)17(20)14-9-8-12-16(19)13-14/h5-13H,3-4H2,1-2H3
InChIKeyVQINEGZDDLFJRT-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.77
Rot. Bonds5

About 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one

2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one (PubChem CID 63409962) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
PubChem CID63409962
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
SMILESCCC(CC)(C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H19FO/c1-3-18(4-2,15-10-6-5-7-11-15)17(20)14-9-8-12-16(19)13-14/h5-13H,3-4H2,1-2H3
InChIKeyVQINEGZDDLFJRT-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
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N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
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4-ethyl-4-phenylhexan-3-one
CID 63083231
3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
CID 150106671
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8675820
3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800565
ethane-1,2-diol;3-fluorobenzoic acid;methanesulfonic acid
CID 87347628

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one?
The IUPAC name of 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one (CID 63409962) is 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one?
The canonical SMILES for 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one is CCC(CC)(C(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one?
The InChIKey is VQINEGZDDLFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-3-18(4-2,15-10-6-5-7-11-15)17(20)14-9-8-12-16(19)13-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one?
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one has a molecular weight of 270.35 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 63409962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).