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

C10H12FNO — CID 14968310

IUPAC4-amino-1-(4-fluorophenyl)butan-1-one
SMILESNCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7,12H2
InChIKeyWIUNBQSCYJOJFI-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.75
Rot. Bonds4

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

4-amino-1-(4-fluorophenyl)butan-1-one (PubChem CID 14968310) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-amino-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-fluorophenyl)butan-1-one
PubChem CID14968310
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-amino-1-(4-fluorophenyl)butan-1-one
SMILESNCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7,12H2
InChIKeyWIUNBQSCYJOJFI-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-amino-1-(4-fluorophenyl)butan-1-one (CID 14968310) is 4-amino-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-amino-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-amino-1-(4-fluorophenyl)butan-1-one is NCCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-amino-1-(4-fluorophenyl)butan-1-one?
The InChIKey is WIUNBQSCYJOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7,12H2.
What are the key properties of 4-amino-1-(4-fluorophenyl)butan-1-one?
4-amino-1-(4-fluorophenyl)butan-1-one has a molecular weight of 181.21 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 14968310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).