4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile

C14H16F2N2O — CID 157032281

IUPAC4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile
SMILESCC(C)N1CC(Oc2ccc(C#N)cc2)C(F)(F)C1
InChIInChI=1S/C14H16F2N2O/c1-10(2)18-8-13(14(15,16)9-18)19-12-5-3-11(7-17)4-6-12/h3-6,10,13H,8-9H2,1-2H3
InChIKeyQJSIRNZKMREUDG-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.66
Rot. Bonds3

About 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile

4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile (PubChem CID 157032281) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile
PubChem CID157032281
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile
SMILESCC(C)N1CC(Oc2ccc(C#N)cc2)C(F)(F)C1
InChIInChI=1S/C14H16F2N2O/c1-10(2)18-8-13(14(15,16)9-18)19-12-5-3-11(7-17)4-6-12/h3-6,10,13H,8-9H2,1-2H3
InChIKeyQJSIRNZKMREUDG-UHFFFAOYSA-N
XLogP2.66
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-propan-2-ylcyclobutyl)oxybenzonitrile
CID 118071296
4-(3,3-difluoroazetidin-1-yl)benzonitrile
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4-(3-methoxycyclobutyl)oxybenzonitrile
CID 169088074
3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
CID 154880570
4-(oxetan-3-yloxy)benzonitrile
CID 56604390
2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 94799999
4-[2-(bromomethyl)-3-methylbutoxy]benzonitrile
CID 65012167
4-[1-[1-(2-aminophenyl)propan-2-yl]-3-phenylpiperidin-4-yl]oxybenzonitrile
CID 20553803
4-[(3S,4R)-1-[1-(2-aminophenyl)propan-2-yl]-3-phenylpiperidin-4-yl]oxybenzonitrile
CID 54118638
4-[tris(2-methylpropyl)silyloxy]benzonitrile
CID 532691
4-methoxy(13C)benzonitrile
CID 175991125
3-chloro-4-(1-propan-2-ylazetidin-3-yl)benzonitrile
CID 169030288

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile?
The IUPAC name of 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile (CID 157032281) is 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile.
What is the SMILES notation for 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile?
The canonical SMILES for 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile is CC(C)N1CC(Oc2ccc(C#N)cc2)C(F)(F)C1.
What is the InChIKey of 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile?
The InChIKey is QJSIRNZKMREUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-10(2)18-8-13(14(15,16)9-18)19-12-5-3-11(7-17)4-6-12/h3-6,10,13H,8-9H2,1-2H3.
What are the key properties of 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile?
4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile has a molecular weight of 266.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile is sourced from PubChem (CID 157032281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).