1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one

C14H20FNO — CID 132989293

IUPAC1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
SMILESCCCC(NC(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-4-5-13(16-10(2)3)14(17)11-6-8-12(15)9-7-11/h6-10,13,16H,4-5H2,1-3H3
InChIKeyOWNVSTVTZITAOJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.18
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one

1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one (PubChem CID 132989293) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
PubChem CID132989293
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
SMILESCCCC(NC(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-4-5-13(16-10(2)3)14(17)11-6-8-12(15)9-7-11/h6-10,13,16H,4-5H2,1-3H3
InChIKeyOWNVSTVTZITAOJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one (CID 132989293) is 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one is CCCC(NC(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one?
The InChIKey is OWNVSTVTZITAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-5-13(16-10(2)3)14(17)11-6-8-12(15)9-7-11/h6-10,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one?
1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one has a molecular weight of 237.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one is sourced from PubChem (CID 132989293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).