2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol

C8H14F3NO — CID 103864854

IUPAC2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC/C=C/CN(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-4-12(5-6-13)7-8(9,10)11/h2-3,13H,4-7H2,1H3/b3-2+
InChIKeyVOYCLWKOUQFBSZ-NSCUHMNNSA-N
MW197.20 g/mol
LogP1.42
Rot. Bonds5

About 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864854) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864854
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC/C=C/CN(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-4-12(5-6-13)7-8(9,10)11/h2-3,13H,4-7H2,1H3/b3-2+
InChIKeyVOYCLWKOUQFBSZ-NSCUHMNNSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 103864854) is 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol is C/C=C/CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VOYCLWKOUQFBSZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-3-4-12(5-6-13)7-8(9,10)11/h2-3,13H,4-7H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 197.20 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).