2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine

C10H18FN3 — CID 145255844

IUPAC2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine
SMILESC=C(F)CC.[H]/N=C1\CCNC\C1=N/C
InChIInChI=1S/C6H11N3.C4H7F/c1-8-6-4-9-3-2-5(6)7;1-3-4(2)5/h7,9H,2-4H2,1H3;2-3H2,1H3/b7-5+,8-6+;
InChIKeyRVTQVFIWVUOVRH-PUFOULASSA-N
MW199.27 g/mol
LogP1.95
Rot. Bonds1

About 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine

2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine (PubChem CID 145255844) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine.

Molecular Properties

Compound Name2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine
PubChem CID145255844
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine
SMILESC=C(F)CC.[H]/N=C1\CCNC\C1=N/C
InChIInChI=1S/C6H11N3.C4H7F/c1-8-6-4-9-3-2-5(6)7;1-3-4(2)5/h7,9H,2-4H2,1H3;2-3H2,1H3/b7-5+,8-6+;
InChIKeyRVTQVFIWVUOVRH-PUFOULASSA-N
XLogP1.95
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine?
The IUPAC name of 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine (CID 145255844) is 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine.
What is the SMILES notation for 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine?
The canonical SMILES for 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine is C=C(F)CC.[H]/N=C1\CCNC\C1=N/C.
What is the InChIKey of 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine?
The InChIKey is RVTQVFIWVUOVRH-PUFOULASSA-N. The full InChI is InChI=1S/C6H11N3.C4H7F/c1-8-6-4-9-3-2-5(6)7;1-3-4(2)5/h7,9H,2-4H2,1H3;2-3H2,1H3/b7-5+,8-6+;.
What are the key properties of 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine?
2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine has a molecular weight of 199.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine is sourced from PubChem (CID 145255844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).