2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile

C14H14FNO2 — CID 79759575

IUPAC2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile
SMILESCC1OCCC1C(=O)C(C#N)c1cccc(F)c1
InChIInChI=1S/C14H14FNO2/c1-9-12(5-6-18-9)14(17)13(8-16)10-3-2-4-11(15)7-10/h2-4,7,9,12-13H,5-6H2,1H3
InChIKeyIWRHSOAWNPGYKR-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.43
Rot. Bonds3

About 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile

2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile (PubChem CID 79759575) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile
PubChem CID79759575
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile
SMILESCC1OCCC1C(=O)C(C#N)c1cccc(F)c1
InChIInChI=1S/C14H14FNO2/c1-9-12(5-6-18-9)14(17)13(8-16)10-3-2-4-11(15)7-10/h2-4,7,9,12-13H,5-6H2,1H3
InChIKeyIWRHSOAWNPGYKR-UHFFFAOYSA-N
XLogP2.43
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyloxolan-3-yl)-2-(3-methylphenyl)-3-oxopropanenitrile
CID 79758981
2-(4-chlorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile
CID 79758655
3-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 64905176
2-chloro-2-(4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 81242724
2-(3-fluorophenyl)-3-oxohexanenitrile
CID 43157077
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970634
(2S)-3-cyclopropyl-2-(3-methylphenyl)-3-oxopropanenitrile
CID 94254516
2-(3-methoxyphenyl)-3-(2-methylcyclopentyl)-3-oxopropanenitrile
CID 107179057
3-(2-methylcyclopentyl)-3-oxo-2-phenylpropanenitrile
CID 107179005
3-(2,3-dimethylphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43334555
2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
CID 43334509

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile (CID 79759575) is 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile is CC1OCCC1C(=O)C(C#N)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile?
The InChIKey is IWRHSOAWNPGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-12(5-6-18-9)14(17)13(8-16)10-3-2-4-11(15)7-10/h2-4,7,9,12-13H,5-6H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile?
2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile has a molecular weight of 247.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 79759575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).