N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide

C11H13FN2O — CID 146255078

IUPACN-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide
SMILESC=C/C(=C\C/C=C(/F)CNC=O)CC#N
InChIInChI=1S/C11H13FN2O/c1-2-10(6-7-13)4-3-5-11(12)8-14-9-15/h2,4-5,9H,1,3,6,8H2,(H,14,15)/b10-4+,11-5+
InChIKeyAEPULJHMLSLVFY-ZVSIBQGLSA-N
MW208.24 g/mol
LogP2.00
Rot. Bonds7

About N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide

N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide (PubChem CID 146255078) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide.

Molecular Properties

Compound NameN-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide
PubChem CID146255078
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide
SMILESC=C/C(=C\C/C=C(/F)CNC=O)CC#N
InChIInChI=1S/C11H13FN2O/c1-2-10(6-7-13)4-3-5-11(12)8-14-9-15/h2,4-5,9H,1,3,6,8H2,(H,14,15)/b10-4+,11-5+
InChIKeyAEPULJHMLSLVFY-ZVSIBQGLSA-N
XLogP2.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 143389094
N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide
CID 144877254
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]formamide
CID 153550782
N-[(2E,4E)-4-cyano-2-methylhexa-2,4-dienyl]formamide
CID 169197805

Frequently Asked Questions

What is the IUPAC name of N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide?
The IUPAC name of N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide (CID 146255078) is N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide.
What is the SMILES notation for N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide?
The canonical SMILES for N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide is C=C/C(=C\C/C=C(/F)CNC=O)CC#N.
What is the InChIKey of N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide?
The InChIKey is AEPULJHMLSLVFY-ZVSIBQGLSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-2-10(6-7-13)4-3-5-11(12)8-14-9-15/h2,4-5,9H,1,3,6,8H2,(H,14,15)/b10-4+,11-5+.
What are the key properties of N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide?
N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide has a molecular weight of 208.24 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide is sourced from PubChem (CID 146255078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).