(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium

C10H15F3NO2+ — CID 89176264

IUPAC(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium
SMILESC=CC[N@@+](CCO)(CC(F)(F)F)C(=O)C=C
InChIInChI=1S/C10H15F3NO2/c1-3-5-14(6-7-15,9(16)4-2)8-10(11,12)13/h3-4,15H,1-2,5-8H2/q+1/t14-/m1/s1
InChIKeyYIODMFSEUFZCJJ-CQSZACIVSA-N
MW238.23 g/mol
LogP1.26
Rot. Bonds6

About (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium

(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium (PubChem CID 89176264) has the molecular formula C10H15F3NO2+ and a molecular weight of 238.23 g/mol. Its IUPAC name is (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium.

Molecular Properties

Compound Name(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium
PubChem CID89176264
Molecular FormulaC10H15F3NO2+
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Name(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium
SMILESC=CC[N@@+](CCO)(CC(F)(F)F)C(=O)C=C
InChIInChI=1S/C10H15F3NO2/c1-3-5-14(6-7-15,9(16)4-2)8-10(11,12)13/h3-4,15H,1-2,5-8H2/q+1/t14-/m1/s1
InChIKeyYIODMFSEUFZCJJ-CQSZACIVSA-N
XLogP1.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium?
The IUPAC name of (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium (CID 89176264) is (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium.
What is the SMILES notation for (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium?
The canonical SMILES for (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium is C=CC[N@@+](CCO)(CC(F)(F)F)C(=O)C=C.
What is the InChIKey of (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium?
The InChIKey is YIODMFSEUFZCJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C10H15F3NO2/c1-3-5-14(6-7-15,9(16)4-2)8-10(11,12)13/h3-4,15H,1-2,5-8H2/q+1/t14-/m1/s1.
What are the key properties of (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium?
(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium has a molecular weight of 238.23 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium is sourced from PubChem (CID 89176264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).