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

C7H11F2NO — CID 142625641

IUPACN,N-bis(2-fluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CCF)CCF
InChIInChI=1S/C7H11F2NO/c1-2-7(11)10(5-3-8)6-4-9/h2H,1,3-6H2
InChIKeyRERUYUICDWASOE-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.94
Rot. Bonds5

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

N,N-bis(2-fluoroethyl)prop-2-enamide (PubChem CID 142625641) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is N,N-bis(2-fluoroethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-fluoroethyl)prop-2-enamide
PubChem CID142625641
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC NameN,N-bis(2-fluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CCF)CCF
InChIInChI=1S/C7H11F2NO/c1-2-7(11)10(5-3-8)6-4-9/h2H,1,3-6H2
InChIKeyRERUYUICDWASOE-UHFFFAOYSA-N
XLogP0.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.94
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-fluoroethyl)prop-2-enamide?
The IUPAC name of N,N-bis(2-fluoroethyl)prop-2-enamide (CID 142625641) is N,N-bis(2-fluoroethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2-fluoroethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(2-fluoroethyl)prop-2-enamide is C=CC(=O)N(CCF)CCF.
What is the InChIKey of N,N-bis(2-fluoroethyl)prop-2-enamide?
The InChIKey is RERUYUICDWASOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-2-7(11)10(5-3-8)6-4-9/h2H,1,3-6H2.
What are the key properties of N,N-bis(2-fluoroethyl)prop-2-enamide?
N,N-bis(2-fluoroethyl)prop-2-enamide has a molecular weight of 163.17 g/mol, XLogP of 0.94, 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-fluoroethyl)prop-2-enamide is sourced from PubChem (CID 142625641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).