2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol

C7H12F3NO — CID 115631860

IUPAC2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=CCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-11(4-5-12)6-7(8,9)10/h2,12H,1,3-6H2
InChIKeyIVLMKQJWSYPEPQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.03
Rot. Bonds5

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

2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 115631860) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID115631860
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=CCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-11(4-5-12)6-7(8,9)10/h2,12H,1,3-6H2
InChIKeyIVLMKQJWSYPEPQ-UHFFFAOYSA-N
XLogP1.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 140552329
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
CID 114496866
2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
CID 115633472
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004
2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485821
3,3,3-trifluoro-2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]propanenitrile
CID 103372199
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol
CID 113339929
ethyl (E)-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]but-2-enoate
CID 107480908
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809
ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
CID 175390899

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol (CID 115631860) is 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol is C=CCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IVLMKQJWSYPEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-3-11(4-5-12)6-7(8,9)10/h2,12H,1,3-6H2.
What are the key properties of 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 183.17 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 115631860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).