2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile

C16H14FNO — CID 82140744

IUPAC2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile
SMILESCOc1ccc(CC(C#N)c2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO/c1-19-16-7-5-12(6-8-16)9-14(11-18)13-3-2-4-15(17)10-13/h2-8,10,14H,9H2,1H3
InChIKeyUKOHSXRNBVRNHM-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.68
Rot. Bonds4

About 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile

2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile (PubChem CID 82140744) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile
PubChem CID82140744
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile
SMILESCOc1ccc(CC(C#N)c2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO/c1-19-16-7-5-12(6-8-16)9-14(11-18)13-3-2-4-15(17)10-13/h2-8,10,14H,9H2,1H3
InChIKeyUKOHSXRNBVRNHM-UHFFFAOYSA-N
XLogP3.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-4-(4-methoxyphenoxy)butanenitrile
CID 82137521
2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
CID 82140750
2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140756
3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)propanenitrile
CID 82140697
3-(4-methoxyphenyl)-2-(4-nitrophenyl)propanenitrile
CID 71721505
1-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-methoxybenzene
CID 66036179
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
2-(4-chlorophenyl)-3-(3-fluorophenyl)propanenitrile
CID 82140421
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
3-[1-cyano-2-(5-fluoro-2-methoxyphenyl)ethyl]benzonitrile
CID 82141934
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile (CID 82140744) is 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile is COc1ccc(CC(C#N)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile?
The InChIKey is UKOHSXRNBVRNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-19-16-7-5-12(6-8-16)9-14(11-18)13-3-2-4-15(17)10-13/h2-8,10,14H,9H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile?
2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile has a molecular weight of 255.29 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82140744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).