4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile

C11H11F3N2O — CID 11172586

IUPAC4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
SMILESC[C@H](CO)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c1-7(6-17)16-9-3-2-8(5-15)10(4-9)11(12,13)14/h2-4,7,16-17H,6H2,1H3/t7-/m1/s1
InChIKeyUNUVYZSXOILJEZ-SSDOTTSWSA-N
MW244.22 g/mol
LogP2.37
Rot. Bonds3

About 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile

4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 11172586) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
PubChem CID11172586
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
SMILESC[C@H](CO)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c1-7(6-17)16-9-3-2-8(5-15)10(4-9)11(12,13)14/h2-4,7,16-17H,6H2,1H3/t7-/m1/s1
InChIKeyUNUVYZSXOILJEZ-SSDOTTSWSA-N
XLogP2.37
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile (CID 11172586) is 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile is C[C@H](CO)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is UNUVYZSXOILJEZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7(6-17)16-9-3-2-8(5-15)10(4-9)11(12,13)14/h2-4,7,16-17H,6H2,1H3/t7-/m1/s1.
What are the key properties of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 244.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11172586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).