4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile

C15H13F3N2O2 — CID 11347420

IUPAC4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N[C@@H](CO)Cc2ccco2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)14-7-11(4-3-10(14)8-19)20-12(9-21)6-13-2-1-5-22-13/h1-5,7,12,20-21H,6,9H2/t12-/m1/s1
InChIKeyRHRDGZPLYNRSGX-GFCCVEGCSA-N
MW310.28 g/mol
LogP3.19
Rot. Bonds5

About 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile

4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 11347420) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
PubChem CID11347420
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N[C@@H](CO)Cc2ccco2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)14-7-11(4-3-10(14)8-19)20-12(9-21)6-13-2-1-5-22-13/h1-5,7,12,20-21H,6,9H2/t12-/m1/s1
InChIKeyRHRDGZPLYNRSGX-GFCCVEGCSA-N
XLogP3.19
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile (CID 11347420) is 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(N[C@@H](CO)Cc2ccco2)cc1C(F)(F)F.
What is the InChIKey of 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is RHRDGZPLYNRSGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)14-7-11(4-3-10(14)8-19)20-12(9-21)6-13-2-1-5-22-13/h1-5,7,12,20-21H,6,9H2/t12-/m1/s1.
What are the key properties of 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 310.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(furan-2-yl)-3-hydroxypropan-2-yl]amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11347420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).