1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine

C23H34FN — CID 134298790

IUPAC1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine
SMILESC=CC/C(CCF)=N\C=C/C(=C)C1CCC(C(CC=C)C(=C)C)CC1
InChIInChI=1S/C23H34FN/c1-6-8-22(14-16-24)25-17-15-19(5)20-10-12-21(13-11-20)23(9-7-2)18(3)4/h6-7,15,17,20-21,23H,1-3,5,8-14,16H2,4H3/b17-15-,25-22+
InChIKeyIZXCOHZZFZXJSX-PTMZNJACSA-N
MW343.53 g/mol
LogP7.01
Rot. Bonds11

About 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine

1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine (PubChem CID 134298790) has the molecular formula C23H34FN and a molecular weight of 343.53 g/mol. Its IUPAC name is 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine.

Molecular Properties

Compound Name1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine
PubChem CID134298790
Molecular FormulaC23H34FN
Molecular Weight343.53 g/mol
Exact Mass343.27
IUPAC Name1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine
SMILESC=CC/C(CCF)=N\C=C/C(=C)C1CCC(C(CC=C)C(=C)C)CC1
InChIInChI=1S/C23H34FN/c1-6-8-22(14-16-24)25-17-15-19(5)20-10-12-21(13-11-20)23(9-7-2)18(3)4/h6-7,15,17,20-21,23H,1-3,5,8-14,16H2,4H3/b17-15-,25-22+
InChIKeyIZXCOHZZFZXJSX-PTMZNJACSA-N
XLogP7.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.53
LogP ≤ 57.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine?
The IUPAC name of 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine (CID 134298790) is 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine.
What is the SMILES notation for 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine?
The canonical SMILES for 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine is C=CC/C(CCF)=N\C=C/C(=C)C1CCC(C(CC=C)C(=C)C)CC1.
What is the InChIKey of 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine?
The InChIKey is IZXCOHZZFZXJSX-PTMZNJACSA-N. The full InChI is InChI=1S/C23H34FN/c1-6-8-22(14-16-24)25-17-15-19(5)20-10-12-21(13-11-20)23(9-7-2)18(3)4/h6-7,15,17,20-21,23H,1-3,5,8-14,16H2,4H3/b17-15-,25-22+.
What are the key properties of 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine?
1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine has a molecular weight of 343.53 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine is sourced from PubChem (CID 134298790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).