2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine

C9H14FN — CID 163961614

IUPAC2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine
SMILESC=C(F)/C=N/C=C(\C)CCC
InChIInChI=1S/C9H14FN/c1-4-5-8(2)6-11-7-9(3)10/h6-7H,3-5H2,1-2H3/b8-6+,11-7+
InChIKeySHYVOHTWJSCRJI-JMFBPXTISA-N
MW155.22 g/mol
LogP3.24
Rot. Bonds4

About 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine

2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine (PubChem CID 163961614) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine
PubChem CID163961614
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine
SMILESC=C(F)/C=N/C=C(\C)CCC
InChIInChI=1S/C9H14FN/c1-4-5-8(2)6-11-7-9(3)10/h6-7H,3-5H2,1-2H3/b8-6+,11-7+
InChIKeySHYVOHTWJSCRJI-JMFBPXTISA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine?
The IUPAC name of 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine (CID 163961614) is 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine is C=C(F)/C=N/C=C(\C)CCC.
What is the InChIKey of 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine?
The InChIKey is SHYVOHTWJSCRJI-JMFBPXTISA-N. The full InChI is InChI=1S/C9H14FN/c1-4-5-8(2)6-11-7-9(3)10/h6-7H,3-5H2,1-2H3/b8-6+,11-7+.
What are the key properties of 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine?
2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine has a molecular weight of 155.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 163961614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).