N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine

C7H10FN — CID 163369917

IUPACN-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
SMILESC=N/C=C(/F)C(=C)CC
InChIInChI=1S/C7H10FN/c1-4-6(2)7(8)5-9-3/h5H,2-4H2,1H3/b7-5+
InChIKeyQRORBZRFUIINGE-FNORWQNLSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds3

About N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine

N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine (PubChem CID 163369917) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
PubChem CID163369917
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
SMILESC=N/C=C(/F)C(=C)CC
InChIInChI=1S/C7H10FN/c1-4-6(2)7(8)5-9-3/h5H,2-4H2,1H3/b7-5+
InChIKeyQRORBZRFUIINGE-FNORWQNLSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine (CID 163369917) is N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine is C=N/C=C(/F)C(=C)CC.
What is the InChIKey of N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine?
The InChIKey is QRORBZRFUIINGE-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-6(2)7(8)5-9-3/h5H,2-4H2,1H3/b7-5+.
What are the key properties of N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine?
N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine is sourced from PubChem (CID 163369917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).