2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol

C8H16FNO — CID 143654015

IUPAC2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol
SMILESC/C=C(\C)CCN(F)CCO
InChIInChI=1S/C8H16FNO/c1-3-8(2)4-5-10(9)6-7-11/h3,11H,4-7H2,1-2H3/b8-3+
InChIKeyRUCWUIGWEDABOQ-FPYGCLRLSA-N
MW161.22 g/mol
LogP1.52
Rot. Bonds5

About 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol

2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol (PubChem CID 143654015) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol
PubChem CID143654015
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol
SMILESC/C=C(\C)CCN(F)CCO
InChIInChI=1S/C8H16FNO/c1-3-8(2)4-5-10(9)6-7-11/h3,11H,4-7H2,1-2H3/b8-3+
InChIKeyRUCWUIGWEDABOQ-FPYGCLRLSA-N
XLogP1.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol?
The IUPAC name of 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol (CID 143654015) is 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol.
What is the SMILES notation for 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol?
The canonical SMILES for 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol is C/C=C(\C)CCN(F)CCO.
What is the InChIKey of 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol?
The InChIKey is RUCWUIGWEDABOQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-8(2)4-5-10(9)6-7-11/h3,11H,4-7H2,1-2H3/b8-3+.
What are the key properties of 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol?
2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol has a molecular weight of 161.22 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-[(E)-3-methylpent-3-enyl]amino]ethanol is sourced from PubChem (CID 143654015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).