fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine

C8H16FN — CID 172621764

IUPACfluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine
SMILESC=N/C=C(\C)CCC.CF
InChIInChI=1S/C7H13N.CH3F/c1-4-5-7(2)6-8-3;1-2/h6H,3-5H2,1-2H3;1H3/b7-6+;
InChIKeyKFGQNFBPMJWZLH-UHDJGPCESA-N
MW145.22 g/mol
LogP2.98
Rot. Bonds3

About fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine

fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine (PubChem CID 172621764) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine.

Molecular Properties

Compound Namefluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine
PubChem CID172621764
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Namefluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine
SMILESC=N/C=C(\C)CCC.CF
InChIInChI=1S/C7H13N.CH3F/c1-4-5-7(2)6-8-3;1-2/h6H,3-5H2,1-2H3;1H3/b7-6+;
InChIKeyKFGQNFBPMJWZLH-UHDJGPCESA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.98
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 fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine?
The IUPAC name of fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine (CID 172621764) is fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine.
What is the SMILES notation for fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine?
The canonical SMILES for fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine is C=N/C=C(\C)CCC.CF.
What is the InChIKey of fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine?
The InChIKey is KFGQNFBPMJWZLH-UHDJGPCESA-N. The full InChI is InChI=1S/C7H13N.CH3F/c1-4-5-7(2)6-8-3;1-2/h6H,3-5H2,1-2H3;1H3/b7-6+;.
What are the key properties of fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine?
fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine has a molecular weight of 145.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine is sourced from PubChem (CID 172621764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).