N-(5,5-difluoropentyl)-2-methylprop-2-enamide

C9H15F2NO — CID 89332580

IUPACN-(5,5-difluoropentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCC(F)F
InChIInChI=1S/C9H15F2NO/c1-7(2)9(13)12-6-4-3-5-8(10)11/h8H,1,3-6H2,2H3,(H,12,13)
InChIKeyKOAJQPCOIJAVDH-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.11
Rot. Bonds6

About N-(5,5-difluoropentyl)-2-methylprop-2-enamide

N-(5,5-difluoropentyl)-2-methylprop-2-enamide (PubChem CID 89332580) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-(5,5-difluoropentyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(5,5-difluoropentyl)-2-methylprop-2-enamide
PubChem CID89332580
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-(5,5-difluoropentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCC(F)F
InChIInChI=1S/C9H15F2NO/c1-7(2)9(13)12-6-4-3-5-8(10)11/h8H,1,3-6H2,2H3,(H,12,13)
InChIKeyKOAJQPCOIJAVDH-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-difluoropentyl)-2-methylprop-2-enamide?
The IUPAC name of N-(5,5-difluoropentyl)-2-methylprop-2-enamide (CID 89332580) is N-(5,5-difluoropentyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(5,5-difluoropentyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(5,5-difluoropentyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCC(F)F.
What is the InChIKey of N-(5,5-difluoropentyl)-2-methylprop-2-enamide?
The InChIKey is KOAJQPCOIJAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(2)9(13)12-6-4-3-5-8(10)11/h8H,1,3-6H2,2H3,(H,12,13).
What are the key properties of N-(5,5-difluoropentyl)-2-methylprop-2-enamide?
N-(5,5-difluoropentyl)-2-methylprop-2-enamide has a molecular weight of 191.22 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-difluoropentyl)-2-methylprop-2-enamide is sourced from PubChem (CID 89332580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).