N,N-bis(2,2-difluoroethyl)prop-2-enamide

C7H9F4NO — CID 19792307

IUPACN,N-bis(2,2-difluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CC(F)F)CC(F)F
InChIInChI=1S/C7H9F4NO/c1-2-7(13)12(3-5(8)9)4-6(10)11/h2,5-6H,1,3-4H2
InChIKeyOYANSBWXNJWNKY-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.53
Rot. Bonds5

About N,N-bis(2,2-difluoroethyl)prop-2-enamide

N,N-bis(2,2-difluoroethyl)prop-2-enamide (PubChem CID 19792307) has the molecular formula C7H9F4NO and a molecular weight of 199.15 g/mol. Its IUPAC name is N,N-bis(2,2-difluoroethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2,2-difluoroethyl)prop-2-enamide
PubChem CID19792307
Molecular FormulaC7H9F4NO
Molecular Weight199.15 g/mol
Exact Mass199.06
IUPAC NameN,N-bis(2,2-difluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CC(F)F)CC(F)F
InChIInChI=1S/C7H9F4NO/c1-2-7(13)12(3-5(8)9)4-6(10)11/h2,5-6H,1,3-4H2
InChIKeyOYANSBWXNJWNKY-UHFFFAOYSA-N
XLogP1.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.53
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,N-bis(2,2-difluoroethyl)prop-2-enamide?
The IUPAC name of N,N-bis(2,2-difluoroethyl)prop-2-enamide (CID 19792307) is N,N-bis(2,2-difluoroethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2,2-difluoroethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(2,2-difluoroethyl)prop-2-enamide is C=CC(=O)N(CC(F)F)CC(F)F.
What is the InChIKey of N,N-bis(2,2-difluoroethyl)prop-2-enamide?
The InChIKey is OYANSBWXNJWNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO/c1-2-7(13)12(3-5(8)9)4-6(10)11/h2,5-6H,1,3-4H2.
What are the key properties of N,N-bis(2,2-difluoroethyl)prop-2-enamide?
N,N-bis(2,2-difluoroethyl)prop-2-enamide has a molecular weight of 199.15 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2-difluoroethyl)prop-2-enamide is sourced from PubChem (CID 19792307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).