(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine

C10H16FN — CID 167149871

IUPAC(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine
SMILESCC/C=C(F)/C=N/C=C(\C)CC
InChIInChI=1S/C10H16FN/c1-4-6-10(11)8-12-7-9(3)5-2/h6-8H,4-5H2,1-3H3/b9-7+,10-6-,12-8+
InChIKeyCUOQDEHTXGLWGB-XGAMRFLOSA-N
MW169.24 g/mol
LogP3.63
Rot. Bonds4

About (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine

(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine (PubChem CID 167149871) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine
PubChem CID167149871
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine
SMILESCC/C=C(F)/C=N/C=C(\C)CC
InChIInChI=1S/C10H16FN/c1-4-6-10(11)8-12-7-9(3)5-2/h6-8H,4-5H2,1-3H3/b9-7+,10-6-,12-8+
InChIKeyCUOQDEHTXGLWGB-XGAMRFLOSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.63
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 (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine?
The IUPAC name of (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine (CID 167149871) is (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine.
What is the SMILES notation for (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine?
The canonical SMILES for (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine is CC/C=C(F)/C=N/C=C(\C)CC.
What is the InChIKey of (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine?
The InChIKey is CUOQDEHTXGLWGB-XGAMRFLOSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-6-10(11)8-12-7-9(3)5-2/h6-8H,4-5H2,1-3H3/b9-7+,10-6-,12-8+.
What are the key properties of (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine?
(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine has a molecular weight of 169.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine is sourced from PubChem (CID 167149871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).