5-amino-3-(4-fluorophenyl)hexan-2-one;ethane

C14H22FNO — CID 143606872

IUPAC5-amino-3-(4-fluorophenyl)hexan-2-one;ethane
SMILESCC.CC(=O)C(CC(C)N)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO.C2H6/c1-8(14)7-12(9(2)15)10-3-5-11(13)6-4-10;1-2/h3-6,8,12H,7,14H2,1-2H3;1-2H3
InChIKeyMMAZHDBQHAILSK-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.26
Rot. Bonds4

About 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane

5-amino-3-(4-fluorophenyl)hexan-2-one;ethane (PubChem CID 143606872) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane.

Molecular Properties

Compound Name5-amino-3-(4-fluorophenyl)hexan-2-one;ethane
PubChem CID143606872
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name5-amino-3-(4-fluorophenyl)hexan-2-one;ethane
SMILESCC.CC(=O)C(CC(C)N)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO.C2H6/c1-8(14)7-12(9(2)15)10-3-5-11(13)6-4-10;1-2/h3-6,8,12H,7,14H2,1-2H3;1-2H3
InChIKeyMMAZHDBQHAILSK-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-(4-chloro-3-fluorophenyl)hexan-2-one
CID 143606857
3-[amino-(4-fluorophenyl)methyl]-5-methylhexane-2,4-dione
CID 59107352
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
CID 62935345
3-[4-(5-hydroxy-2-oxohexan-3-yl)phenyl]hexane-2,5-dione
CID 175634493
CID 89318743
CID 89318743
ethyl 2-acetyl-3-(4-fluorophenyl)butanoate
CID 18370888
2-(4-fluorophenyl)butanediamide
CID 69053213
methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane?
The IUPAC name of 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane (CID 143606872) is 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane.
What is the SMILES notation for 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane?
The canonical SMILES for 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane is CC.CC(=O)C(CC(C)N)c1ccc(F)cc1.
What is the InChIKey of 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane?
The InChIKey is MMAZHDBQHAILSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.C2H6/c1-8(14)7-12(9(2)15)10-3-5-11(13)6-4-10;1-2/h3-6,8,12H,7,14H2,1-2H3;1-2H3.
What are the key properties of 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane?
5-amino-3-(4-fluorophenyl)hexan-2-one;ethane has a molecular weight of 239.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluorophenyl)hexan-2-one;ethane is sourced from PubChem (CID 143606872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).