2-[3-fluoropropyl(prop-2-enyl)amino]ethanol

C8H16FNO — CID 115721326

IUPAC2-[3-fluoropropyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCCF
InChIInChI=1S/C8H16FNO/c1-2-5-10(7-8-11)6-3-4-9/h2,11H,1,3-8H2
InChIKeyAQPURCWYAVVHTM-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.83
Rot. Bonds7

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

2-[3-fluoropropyl(prop-2-enyl)amino]ethanol (PubChem CID 115721326) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-[3-fluoropropyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-fluoropropyl(prop-2-enyl)amino]ethanol
PubChem CID115721326
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-[3-fluoropropyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCCF
InChIInChI=1S/C8H16FNO/c1-2-5-10(7-8-11)6-3-4-9/h2,11H,1,3-8H2
InChIKeyAQPURCWYAVVHTM-UHFFFAOYSA-N
XLogP0.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.83
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-[3-fluoropropyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[3-fluoropropyl(prop-2-enyl)amino]ethanol (CID 115721326) is 2-[3-fluoropropyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[3-fluoropropyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[3-fluoropropyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CCCF.
What is the InChIKey of 2-[3-fluoropropyl(prop-2-enyl)amino]ethanol?
The InChIKey is AQPURCWYAVVHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-5-10(7-8-11)6-3-4-9/h2,11H,1,3-8H2.
What are the key properties of 2-[3-fluoropropyl(prop-2-enyl)amino]ethanol?
2-[3-fluoropropyl(prop-2-enyl)amino]ethanol has a molecular weight of 161.22 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoropropyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 115721326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).