N-(6,6-difluorohex-5-enyl)acetamide

C8H13F2NO — CID 71405596

IUPACN-(6,6-difluorohex-5-enyl)acetamide
SMILESCC(=O)NCCCCC=C(F)F
InChIInChI=1S/C8H13F2NO/c1-7(12)11-6-4-2-3-5-8(9)10/h5H,2-4,6H2,1H3,(H,11,12)
InChIKeyYVWORPSAXYFIPY-UHFFFAOYSA-N
MW177.19 g/mol
LogP2.07
Rot. Bonds5

About N-(6,6-difluorohex-5-enyl)acetamide

N-(6,6-difluorohex-5-enyl)acetamide (PubChem CID 71405596) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-(6,6-difluorohex-5-enyl)acetamide.

Molecular Properties

Compound NameN-(6,6-difluorohex-5-enyl)acetamide
PubChem CID71405596
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-(6,6-difluorohex-5-enyl)acetamide
SMILESCC(=O)NCCCCC=C(F)F
InChIInChI=1S/C8H13F2NO/c1-7(12)11-6-4-2-3-5-8(9)10/h5H,2-4,6H2,1H3,(H,11,12)
InChIKeyYVWORPSAXYFIPY-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-difluorohex-5-enyl)acetamide?
The IUPAC name of N-(6,6-difluorohex-5-enyl)acetamide (CID 71405596) is N-(6,6-difluorohex-5-enyl)acetamide.
What is the SMILES notation for N-(6,6-difluorohex-5-enyl)acetamide?
The canonical SMILES for N-(6,6-difluorohex-5-enyl)acetamide is CC(=O)NCCCCC=C(F)F.
What is the InChIKey of N-(6,6-difluorohex-5-enyl)acetamide?
The InChIKey is YVWORPSAXYFIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-7(12)11-6-4-2-3-5-8(9)10/h5H,2-4,6H2,1H3,(H,11,12).
What are the key properties of N-(6,6-difluorohex-5-enyl)acetamide?
N-(6,6-difluorohex-5-enyl)acetamide has a molecular weight of 177.19 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-difluorohex-5-enyl)acetamide is sourced from PubChem (CID 71405596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).