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

C8H15F2NO — CID 107485340

IUPAC2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol
SMILESC/C=C/CN(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO/c1-2-3-4-11(5-6-12)7-8(9)10/h2-3,8,12H,4-7H2,1H3/b3-2+
InChIKeyHCQZFGNUSQCYDU-NSCUHMNNSA-N
MW179.21 g/mol
LogP1.12
Rot. Bonds6

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

2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485340) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107485340
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol
SMILESC/C=C/CN(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO/c1-2-3-4-11(5-6-12)7-8(9)10/h2-3,8,12H,4-7H2,1H3/b3-2+
InChIKeyHCQZFGNUSQCYDU-NSCUHMNNSA-N
XLogP1.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.12
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-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol (CID 107485340) is 2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol is C/C=C/CN(CCO)CC(F)F.
What is the InChIKey of 2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is HCQZFGNUSQCYDU-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-3-4-11(5-6-12)7-8(9)10/h2-3,8,12H,4-7H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[(E)-but-2-enyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 179.21 g/mol, XLogP of 1.12, 6 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).