N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide

C10H20FN3 — CID 142092324

IUPACN'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide
SMILESCC[C@@H](N)C/C=C(/F)CC/N=C(\C)N
InChIInChI=1S/C10H20FN3/c1-3-10(13)5-4-9(11)6-7-14-8(2)12/h4,10H,3,5-7,13H2,1-2H3,(H2,12,14)/b9-4+/t10-/m1/s1
InChIKeyLFRUDBXYWDMMCW-WXLQGSQKSA-N
MW201.29 g/mol
LogP1.73
Rot. Bonds6

About N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide

N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide (PubChem CID 142092324) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide
PubChem CID142092324
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC NameN'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide
SMILESCC[C@@H](N)C/C=C(/F)CC/N=C(\C)N
InChIInChI=1S/C10H20FN3/c1-3-10(13)5-4-9(11)6-7-14-8(2)12/h4,10H,3,5-7,13H2,1-2H3,(H2,12,14)/b9-4+/t10-/m1/s1
InChIKeyLFRUDBXYWDMMCW-WXLQGSQKSA-N
XLogP1.73
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide?
The IUPAC name of N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide (CID 142092324) is N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide?
The canonical SMILES for N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide is CC[C@@H](N)C/C=C(/F)CC/N=C(\C)N.
What is the InChIKey of N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide?
The InChIKey is LFRUDBXYWDMMCW-WXLQGSQKSA-N. The full InChI is InChI=1S/C10H20FN3/c1-3-10(13)5-4-9(11)6-7-14-8(2)12/h4,10H,3,5-7,13H2,1-2H3,(H2,12,14)/b9-4+/t10-/m1/s1.
What are the key properties of N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide?
N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide has a molecular weight of 201.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide is sourced from PubChem (CID 142092324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).