4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one

C12H16FNO — CID 14968311

IUPAC4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one
SMILESCN(C)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-14(2)9-3-4-12(15)10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyXFRVODFWEKRMLZ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.35
Rot. Bonds5

About 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one

4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one (PubChem CID 14968311) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one
PubChem CID14968311
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one
SMILESCN(C)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-14(2)9-3-4-12(15)10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyXFRVODFWEKRMLZ-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one (CID 14968311) is 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one is CN(C)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one?
The InChIKey is XFRVODFWEKRMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14(2)9-3-4-12(15)10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one?
4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 14968311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).