N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide

C11H19F2NO — CID 89352113

IUPACN-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CCC(F)F
InChIInChI=1S/C11H19F2NO/c1-4-5-7-14(8-6-10(12)13)11(15)9(2)3/h10H,2,4-8H2,1,3H3
InChIKeyKMSZYHIYGBENFC-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.85
Rot. Bonds7

About N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide

N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide (PubChem CID 89352113) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide
PubChem CID89352113
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CCC(F)F
InChIInChI=1S/C11H19F2NO/c1-4-5-7-14(8-6-10(12)13)11(15)9(2)3/h10H,2,4-8H2,1,3H3
InChIKeyKMSZYHIYGBENFC-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide?
The IUPAC name of N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide (CID 89352113) is N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCC)CCC(F)F.
What is the InChIKey of N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide?
The InChIKey is KMSZYHIYGBENFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-4-5-7-14(8-6-10(12)13)11(15)9(2)3/h10H,2,4-8H2,1,3H3.
What are the key properties of N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide?
N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide has a molecular weight of 219.27 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 89352113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).