2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile

C11H11F3N2O — CID 55090776

IUPAC2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(NCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-3-1-2-8(6-9)10(7-15)16-4-5-17/h1-3,6,10,16-17H,4-5H2
InChIKeyLHXGLZWYCCYTSM-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile

2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 55090776) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
PubChem CID55090776
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(NCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-3-1-2-8(6-9)10(7-15)16-4-5-17/h1-3,6,10,16-17H,4-5H2
InChIKeyLHXGLZWYCCYTSM-UHFFFAOYSA-N
XLogP1.85
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 60990310
2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanenitrile
CID 55023215
2-[[(2E)-2-hydroxyimino-1-[3-(trifluoromethyl)phenyl]propyl]amino]acetonitrile
CID 88779772
2-[cyano-[3-(trifluoromethyl)phenyl]methyl]sulfinyl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 54214670
2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 43802593
2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 62586957
3-(3-iodophenyl)-2-[3-(trifluoromethyl)phenyl]propanenitrile
CID 23316224
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-(2-methoxyethylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104728
2-[[3-(trifluoromethyl)phenyl]methyl]propanedinitrile
CID 56649771

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile (CID 55090776) is 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile is N#CC(NCCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is LHXGLZWYCCYTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)9-3-1-2-8(6-9)10(7-15)16-4-5-17/h1-3,6,10,16-17H,4-5H2.
What are the key properties of 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 244.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 55090776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).