N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide

C9H18FN3O — CID 150053263

IUPACN'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide
SMILESC/C(=N\C/C(F)=C\CC[C@H](C)N)NO
InChIInChI=1S/C9H18FN3O/c1-7(11)4-3-5-9(10)6-12-8(2)13-14/h5,7,14H,3-4,6,11H2,1-2H3,(H,12,13)/b9-5+/t7-/m0/s1
InChIKeyDLTHTNDSZVCCHI-JGESFRBXSA-N
MW203.26 g/mol
LogP1.36
Rot. Bonds5

About N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide

N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide (PubChem CID 150053263) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide.

Molecular Properties

Compound NameN'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide
PubChem CID150053263
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC NameN'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide
SMILESC/C(=N\C/C(F)=C\CC[C@H](C)N)NO
InChIInChI=1S/C9H18FN3O/c1-7(11)4-3-5-9(10)6-12-8(2)13-14/h5,7,14H,3-4,6,11H2,1-2H3,(H,12,13)/b9-5+/t7-/m0/s1
InChIKeyDLTHTNDSZVCCHI-JGESFRBXSA-N
XLogP1.36
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 87427491
N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 141078393
N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 141082217
N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide
CID 142092324
N'-[(E)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 142831814
N-hydroxy-N'-[(Z)-3-methylpent-3-en-2-yl]butanimidamide
CID 141799695

Frequently Asked Questions

What is the IUPAC name of N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide?
The IUPAC name of N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide (CID 150053263) is N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide.
What is the SMILES notation for N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide?
The canonical SMILES for N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide is C/C(=N\C/C(F)=C\CC[C@H](C)N)NO.
What is the InChIKey of N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide?
The InChIKey is DLTHTNDSZVCCHI-JGESFRBXSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-7(11)4-3-5-9(10)6-12-8(2)13-14/h5,7,14H,3-4,6,11H2,1-2H3,(H,12,13)/b9-5+/t7-/m0/s1.
What are the key properties of N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide?
N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide has a molecular weight of 203.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide is sourced from PubChem (CID 150053263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).