(2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile

C11H10F3NO — CID 155935723

IUPAC(2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile
SMILESN#C[C@@H](CC(F)(F)F)OCc1ccccc1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)6-10(7-15)16-8-9-4-2-1-3-5-9/h1-5,10H,6,8H2/t10-/m1/s1
InChIKeyUXPMUIOSDHQVBO-SNVBAGLBSA-N
MW229.20 g/mol
LogP3.05
Rot. Bonds4

About (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile

(2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile (PubChem CID 155935723) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile
PubChem CID155935723
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name(2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile
SMILESN#C[C@@H](CC(F)(F)F)OCc1ccccc1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)6-10(7-15)16-8-9-4-2-1-3-5-9/h1-5,10H,6,8H2/t10-/m1/s1
InChIKeyUXPMUIOSDHQVBO-SNVBAGLBSA-N
XLogP3.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile?
The IUPAC name of (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile (CID 155935723) is (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile.
What is the SMILES notation for (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile?
The canonical SMILES for (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile is N#C[C@@H](CC(F)(F)F)OCc1ccccc1.
What is the InChIKey of (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile?
The InChIKey is UXPMUIOSDHQVBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)6-10(7-15)16-8-9-4-2-1-3-5-9/h1-5,10H,6,8H2/t10-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile?
(2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile has a molecular weight of 229.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile is sourced from PubChem (CID 155935723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).