(3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile

C15H18FNO2 — CID 70217065

IUPAC(3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile
SMILESN#CC[C@@H](COC1CCCCO1)c1ccccc1F
InChIInChI=1S/C15H18FNO2/c16-14-6-2-1-5-13(14)12(8-9-17)11-19-15-7-3-4-10-18-15/h1-2,5-6,12,15H,3-4,7-8,10-11H2/t12-,15?/m0/s1
InChIKeyWRHHXHLQIFVFFA-SFVWDYPZSA-N
MW263.31 g/mol
LogP3.37
Rot. Bonds5

About (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile

(3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile (PubChem CID 70217065) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile
PubChem CID70217065
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile
SMILESN#CC[C@@H](COC1CCCCO1)c1ccccc1F
InChIInChI=1S/C15H18FNO2/c16-14-6-2-1-5-13(14)12(8-9-17)11-19-15-7-3-4-10-18-15/h1-2,5-6,12,15H,3-4,7-8,10-11H2/t12-,15?/m0/s1
InChIKeyWRHHXHLQIFVFFA-SFVWDYPZSA-N
XLogP3.37
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile?
The IUPAC name of (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile (CID 70217065) is (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile is N#CC[C@@H](COC1CCCCO1)c1ccccc1F.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile?
The InChIKey is WRHHXHLQIFVFFA-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-14-6-2-1-5-13(14)12(8-9-17)11-19-15-7-3-4-10-18-15/h1-2,5-6,12,15H,3-4,7-8,10-11H2/t12-,15?/m0/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile?
(3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile has a molecular weight of 263.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluorophenyl)-4-(oxan-2-yloxy)butanenitrile is sourced from PubChem (CID 70217065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).