4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one

C16H24FNO2 — CID 135172487

IUPAC4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one
SMILESCC(=O)CCc1cc(F)cc(O[C@H](C)CNC(C)C)c1
InChIInChI=1S/C16H24FNO2/c1-11(2)18-10-13(4)20-16-8-14(6-5-12(3)19)7-15(17)9-16/h7-9,11,13,18H,5-6,10H2,1-4H3/t13-/m1/s1
InChIKeyWBRYRJLPZQJCRL-CYBMUJFWSA-N
MW281.37 g/mol
LogP3.11
Rot. Bonds8

About 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one

4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one (PubChem CID 135172487) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one.

Molecular Properties

Compound Name4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one
PubChem CID135172487
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one
SMILESCC(=O)CCc1cc(F)cc(O[C@H](C)CNC(C)C)c1
InChIInChI=1S/C16H24FNO2/c1-11(2)18-10-13(4)20-16-8-14(6-5-12(3)19)7-15(17)9-16/h7-9,11,13,18H,5-6,10H2,1-4H3/t13-/m1/s1
InChIKeyWBRYRJLPZQJCRL-CYBMUJFWSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one
CID 126672003
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
N-[2-(3,5-difluorophenoxy)propyl]pentan-2-amine
CID 62785273
methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290
1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one
CID 126671921
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate
CID 169128266
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
(E)-4-[3-fluoro-5-[(2R)-1-(iodoamino)propan-2-yl]oxyphenyl]but-3-en-2-one
CID 135172490
2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62584714
2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one
CID 126654823
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one?
The IUPAC name of 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one (CID 135172487) is 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one.
What is the SMILES notation for 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one?
The canonical SMILES for 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one is CC(=O)CCc1cc(F)cc(O[C@H](C)CNC(C)C)c1.
What is the InChIKey of 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one?
The InChIKey is WBRYRJLPZQJCRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(2)18-10-13(4)20-16-8-14(6-5-12(3)19)7-15(17)9-16/h7-9,11,13,18H,5-6,10H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one?
4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one has a molecular weight of 281.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one is sourced from PubChem (CID 135172487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).