N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide

C8H9F2NO — CID 123461324

IUPACN-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide
SMILESC=C(C=C(F)C(=C)F)NC(C)=O
InChIInChI=1S/C8H9F2NO/c1-5(11-7(3)12)4-8(10)6(2)9/h4H,1-2H2,3H3,(H,11,12)
InChIKeyVHQKGCRTDSNUIU-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.97
Rot. Bonds3

About N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide

N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide (PubChem CID 123461324) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide
PubChem CID123461324
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide
SMILESC=C(C=C(F)C(=C)F)NC(C)=O
InChIInChI=1S/C8H9F2NO/c1-5(11-7(3)12)4-8(10)6(2)9/h4H,1-2H2,3H3,(H,11,12)
InChIKeyVHQKGCRTDSNUIU-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide?
The IUPAC name of N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide (CID 123461324) is N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide.
What is the SMILES notation for N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide?
The canonical SMILES for N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide is C=C(C=C(F)C(=C)F)NC(C)=O.
What is the InChIKey of N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide?
The InChIKey is VHQKGCRTDSNUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5(11-7(3)12)4-8(10)6(2)9/h4H,1-2H2,3H3,(H,11,12).
What are the key properties of N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide?
N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide has a molecular weight of 173.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide is sourced from PubChem (CID 123461324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).