2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol

C8H14F3NO — CID 115644305

IUPAC2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol
SMILESC=CCN(CCO)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-4-12(6-7-13)5-3-8(9,10)11/h2,13H,1,3-7H2
InChIKeyBIHMIUQSEGCIHK-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.42
Rot. Bonds6

About 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol

2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol (PubChem CID 115644305) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol.

Molecular Properties

Compound Name2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol
PubChem CID115644305
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol
SMILESC=CCN(CCO)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-4-12(6-7-13)5-3-8(9,10)11/h2,13H,1,3-7H2
InChIKeyBIHMIUQSEGCIHK-UHFFFAOYSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol?
The IUPAC name of 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol (CID 115644305) is 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol.
What is the SMILES notation for 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol?
The canonical SMILES for 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol is C=CCN(CCO)CCC(F)(F)F.
What is the InChIKey of 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol?
The InChIKey is BIHMIUQSEGCIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-4-12(6-7-13)5-3-8(9,10)11/h2,13H,1,3-7H2.
What are the key properties of 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol?
2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol has a molecular weight of 197.20 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol is sourced from PubChem (CID 115644305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).