N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide

C11H14FNO2 — CID 89474171

IUPACN-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide
SMILESC=C(C)OC(/C=C/F)=C/C=C(\C)NC=O
InChIInChI=1S/C11H14FNO2/c1-9(2)15-11(6-7-12)5-4-10(3)13-8-14/h4-8H,1H2,2-3H3,(H,13,14)/b7-6+,10-4+,11-5+
InChIKeyWUWQWRIUFMMYBJ-LJLXTZNZSA-N
MW211.24 g/mol
LogP2.55
Rot. Bonds6

About N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide

N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide (PubChem CID 89474171) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide
PubChem CID89474171
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC NameN-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide
SMILESC=C(C)OC(/C=C/F)=C/C=C(\C)NC=O
InChIInChI=1S/C11H14FNO2/c1-9(2)15-11(6-7-12)5-4-10(3)13-8-14/h4-8H,1H2,2-3H3,(H,13,14)/b7-6+,10-4+,11-5+
InChIKeyWUWQWRIUFMMYBJ-LJLXTZNZSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide?
The IUPAC name of N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide (CID 89474171) is N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide.
What is the SMILES notation for N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide?
The canonical SMILES for N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide is C=C(C)OC(/C=C/F)=C/C=C(\C)NC=O.
What is the InChIKey of N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide?
The InChIKey is WUWQWRIUFMMYBJ-LJLXTZNZSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-9(2)15-11(6-7-12)5-4-10(3)13-8-14/h4-8H,1H2,2-3H3,(H,13,14)/b7-6+,10-4+,11-5+.
What are the key properties of N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide?
N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide has a molecular weight of 211.24 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide is sourced from PubChem (CID 89474171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).