4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile

C16H12FNO2 — CID 7818685

IUPAC4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c1-11(16(19)13-4-6-14(17)7-5-13)20-15-8-2-12(10-18)3-9-15/h2-9,11H,1H3/t11-/m1/s1
InChIKeyAFEYPDNYZWTMCP-LLVKDONJSA-N
MW269.28 g/mol
LogP3.35
Rot. Bonds4

About 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile

4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile (PubChem CID 7818685) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
PubChem CID7818685
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c1-11(16(19)13-4-6-14(17)7-5-13)20-15-8-2-12(10-18)3-9-15/h2-9,11H,1H3/t11-/m1/s1
InChIKeyAFEYPDNYZWTMCP-LLVKDONJSA-N
XLogP3.35
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983960
4-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7503349
4-[4-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 7670579
4-[4-[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 7670662
4-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 3597049
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972
4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile
CID 17401659
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one
CID 51174584
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile?
The IUPAC name of 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile (CID 7818685) is 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile.
What is the SMILES notation for 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile?
The canonical SMILES for 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile is C[C@@H](Oc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile?
The InChIKey is AFEYPDNYZWTMCP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-11(16(19)13-4-6-14(17)7-5-13)20-15-8-2-12(10-18)3-9-15/h2-9,11H,1H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile?
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile has a molecular weight of 269.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile is sourced from PubChem (CID 7818685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).