(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile

C10H9F3N2O — CID 171260551

IUPAC(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile
SMILESN#CC[C@@H](N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)16-9-4-2-1-3-7(9)8(15)5-6-14/h1-4,8H,5,15H2/t8-/m1/s1
InChIKeyUVNODIGDHTUCHC-MRVPVSSYSA-N
MW230.19 g/mol
LogP2.50
Rot. Bonds3

About (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile

(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile (PubChem CID 171260551) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile
PubChem CID171260551
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile
SMILESN#CC[C@@H](N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)16-9-4-2-1-3-7(9)8(15)5-6-14/h1-4,8H,5,15H2/t8-/m1/s1
InChIKeyUVNODIGDHTUCHC-MRVPVSSYSA-N
XLogP2.50
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile;hydrochloride
CID 171260087
(3R)-3-amino-3-[5-bromo-2-(trifluoromethoxy)phenyl]propanenitrile;hydrochloride
CID 171260499
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293
2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62789714
2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790502
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanenitrile
CID 131196533
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794
2-[(1S)-1-amino-2-cyanoethyl]benzonitrile;hydrochloride
CID 171259902

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile?
The IUPAC name of (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile (CID 171260551) is (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile?
The canonical SMILES for (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile is N#CC[C@@H](N)c1ccccc1OC(F)(F)F.
What is the InChIKey of (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile?
The InChIKey is UVNODIGDHTUCHC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)16-9-4-2-1-3-7(9)8(15)5-6-14/h1-4,8H,5,15H2/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile?
(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile has a molecular weight of 230.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile is sourced from PubChem (CID 171260551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).