N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide

C9H15F2NO2 — CID 103208990

IUPACN-but-3-enyl-3-(2,2-difluoroethoxy)propanamide
SMILESC=CCCNC(=O)CCOCC(F)F
InChIInChI=1S/C9H15F2NO2/c1-2-3-5-12-9(13)4-6-14-7-8(10)11/h2,8H,1,3-7H2,(H,12,13)
InChIKeyBVBGDOIIKYFXHW-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.35
Rot. Bonds8

About N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide

N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208990) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-but-3-enyl-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208990
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC NameN-but-3-enyl-3-(2,2-difluoroethoxy)propanamide
SMILESC=CCCNC(=O)CCOCC(F)F
InChIInChI=1S/C9H15F2NO2/c1-2-3-5-12-9(13)4-6-14-7-8(10)11/h2,8H,1,3-7H2,(H,12,13)
InChIKeyBVBGDOIIKYFXHW-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide (CID 103208990) is N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide is C=CCCNC(=O)CCOCC(F)F.
What is the InChIKey of N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is BVBGDOIIKYFXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-3-5-12-9(13)4-6-14-7-8(10)11/h2,8H,1,3-7H2,(H,12,13).
What are the key properties of N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide?
N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 207.22 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).