N-(3,3-difluorobutyl)prop-2-enamide

C7H11F2NO — CID 19792312

IUPACN-(3,3-difluorobutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(F)F
InChIInChI=1S/C7H11F2NO/c1-3-6(11)10-5-4-7(2,8)9/h3H,1,4-5H2,2H3,(H,10,11)
InChIKeyUORVRHMOMCKOEJ-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.33
Rot. Bonds4

About N-(3,3-difluorobutyl)prop-2-enamide

N-(3,3-difluorobutyl)prop-2-enamide (PubChem CID 19792312) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is N-(3,3-difluorobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3-difluorobutyl)prop-2-enamide
PubChem CID19792312
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC NameN-(3,3-difluorobutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(F)F
InChIInChI=1S/C7H11F2NO/c1-3-6(11)10-5-4-7(2,8)9/h3H,1,4-5H2,2H3,(H,10,11)
InChIKeyUORVRHMOMCKOEJ-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
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-(3,3-difluorobutyl)prop-2-enamide?
The IUPAC name of N-(3,3-difluorobutyl)prop-2-enamide (CID 19792312) is N-(3,3-difluorobutyl)prop-2-enamide.
What is the SMILES notation for N-(3,3-difluorobutyl)prop-2-enamide?
The canonical SMILES for N-(3,3-difluorobutyl)prop-2-enamide is C=CC(=O)NCCC(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutyl)prop-2-enamide?
The InChIKey is UORVRHMOMCKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-3-6(11)10-5-4-7(2,8)9/h3H,1,4-5H2,2H3,(H,10,11).
What are the key properties of N-(3,3-difluorobutyl)prop-2-enamide?
N-(3,3-difluorobutyl)prop-2-enamide has a molecular weight of 163.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutyl)prop-2-enamide is sourced from PubChem (CID 19792312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).