3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine

C11H18FN — CID 168972427

IUPAC3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C=C(C)/N=C(\C)C(F)=C(C)C
InChIInChI=1S/C11H18FN/c1-6-7-9(4)13-10(5)11(12)8(2)3/h7H,6H2,1-5H3/b9-7+,13-10+
InChIKeyBTBIENYGEUPLCW-IJQSQKGZSA-N
MW183.27 g/mol
LogP4.02
Rot. Bonds3

About 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine

3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine (PubChem CID 168972427) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
PubChem CID168972427
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C=C(C)/N=C(\C)C(F)=C(C)C
InChIInChI=1S/C11H18FN/c1-6-7-9(4)13-10(5)11(12)8(2)3/h7H,6H2,1-5H3/b9-7+,13-10+
InChIKeyBTBIENYGEUPLCW-IJQSQKGZSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 54.02
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 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine?
The IUPAC name of 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine (CID 168972427) is 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine?
The canonical SMILES for 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine is CC/C=C(C)/N=C(\C)C(F)=C(C)C.
What is the InChIKey of 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine?
The InChIKey is BTBIENYGEUPLCW-IJQSQKGZSA-N. The full InChI is InChI=1S/C11H18FN/c1-6-7-9(4)13-10(5)11(12)8(2)3/h7H,6H2,1-5H3/b9-7+,13-10+.
What are the key properties of 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine?
3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine has a molecular weight of 183.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 168972427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).