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

C7H11ClF3NO — CID 107485821

IUPAC2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(Cl)CN(CCO)CC(F)(F)F
InChIInChI=1S/C7H11ClF3NO/c1-6(8)4-12(2-3-13)5-7(9,10)11/h13H,1-5H2
InChIKeyCFKMBMSNJKVNEX-UHFFFAOYSA-N
MW217.62 g/mol
LogP1.60
Rot. Bonds5

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

2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485821) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485821
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(Cl)CN(CCO)CC(F)(F)F
InChIInChI=1S/C7H11ClF3NO/c1-6(8)4-12(2-3-13)5-7(9,10)11/h13H,1-5H2
InChIKeyCFKMBMSNJKVNEX-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484808
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004
2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one
CID 107481284
4-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]butanoic acid
CID 107485886
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
CID 107485826
methyl 4-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]butanoate
CID 103864914
2-[2-azidoethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484811
2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484736
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480165
1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one
CID 107481303
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol (CID 107485821) is 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol is C=C(Cl)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CFKMBMSNJKVNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF3NO/c1-6(8)4-12(2-3-13)5-7(9,10)11/h13H,1-5H2.
What are the key properties of 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 217.62 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).