(Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine

C20H30FN — CID 167030786

IUPAC(Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine
SMILESC#C/C=C(CCCC)\C(C)=C/C/C(C)=N/CC(=CC)C(C)F
InChIInChI=1S/C20H30FN/c1-7-10-12-20(11-8-2)16(4)13-14-17(5)22-15-19(9-3)18(6)21/h2,9,11,13,18H,7,10,12,14-15H2,1,3-6H3/b16-13-,19-9?,20-11-,22-17+
InChIKeyHFJPPLGOCXTEKY-GCSFVBRPSA-N
MW303.47 g/mol
LogP5.84
Rot. Bonds9

About (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine

(Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine (PubChem CID 167030786) has the molecular formula C20H30FN and a molecular weight of 303.47 g/mol. Its IUPAC name is (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine.

Molecular Properties

Compound Name(Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine
PubChem CID167030786
Molecular FormulaC20H30FN
Molecular Weight303.47 g/mol
Exact Mass303.24
IUPAC Name(Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine
SMILESC#C/C=C(CCCC)\C(C)=C/C/C(C)=N/CC(=CC)C(C)F
InChIInChI=1S/C20H30FN/c1-7-10-12-20(11-8-2)16(4)13-14-17(5)22-15-19(9-3)18(6)21/h2,9,11,13,18H,7,10,12,14-15H2,1,3-6H3/b16-13-,19-9?,20-11-,22-17+
InChIKeyHFJPPLGOCXTEKY-GCSFVBRPSA-N
XLogP5.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine?
The IUPAC name of (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine (CID 167030786) is (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine.
What is the SMILES notation for (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine?
The canonical SMILES for (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine is C#C/C=C(CCCC)\C(C)=C/C/C(C)=N/CC(=CC)C(C)F.
What is the InChIKey of (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine?
The InChIKey is HFJPPLGOCXTEKY-GCSFVBRPSA-N. The full InChI is InChI=1S/C20H30FN/c1-7-10-12-20(11-8-2)16(4)13-14-17(5)22-15-19(9-3)18(6)21/h2,9,11,13,18H,7,10,12,14-15H2,1,3-6H3/b16-13-,19-9?,20-11-,22-17+.
What are the key properties of (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine?
(Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine has a molecular weight of 303.47 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6Z)-N-[2-(1-fluoroethyl)but-2-enyl]-5-methyl-6-prop-2-ynylidenedec-4-en-2-imine is sourced from PubChem (CID 167030786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).