5,5-difluoro-N-prop-2-enylpentanamide

C8H13F2NO — CID 176815907

IUPAC5,5-difluoro-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCC(F)F
InChIInChI=1S/C8H13F2NO/c1-2-6-11-8(12)5-3-4-7(9)10/h2,7H,1,3-6H2,(H,11,12)
InChIKeyFBXFGGGQFLNUKU-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.72
Rot. Bonds6

About 5,5-difluoro-N-prop-2-enylpentanamide

5,5-difluoro-N-prop-2-enylpentanamide (PubChem CID 176815907) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 5,5-difluoro-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name5,5-difluoro-N-prop-2-enylpentanamide
PubChem CID176815907
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name5,5-difluoro-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCC(F)F
InChIInChI=1S/C8H13F2NO/c1-2-6-11-8(12)5-3-4-7(9)10/h2,7H,1,3-6H2,(H,11,12)
InChIKeyFBXFGGGQFLNUKU-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-prop-2-enylpentanamide?
The IUPAC name of 5,5-difluoro-N-prop-2-enylpentanamide (CID 176815907) is 5,5-difluoro-N-prop-2-enylpentanamide.
What is the SMILES notation for 5,5-difluoro-N-prop-2-enylpentanamide?
The canonical SMILES for 5,5-difluoro-N-prop-2-enylpentanamide is C=CCNC(=O)CCCC(F)F.
What is the InChIKey of 5,5-difluoro-N-prop-2-enylpentanamide?
The InChIKey is FBXFGGGQFLNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-6-11-8(12)5-3-4-7(9)10/h2,7H,1,3-6H2,(H,11,12).
What are the key properties of 5,5-difluoro-N-prop-2-enylpentanamide?
5,5-difluoro-N-prop-2-enylpentanamide has a molecular weight of 177.19 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-prop-2-enylpentanamide is sourced from PubChem (CID 176815907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).