N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide

C8H10F5NO — CID 12541730

IUPACN,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
SMILESCCN(CC)C(=O)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C8H10F5NO/c1-3-14(4-2)7(15)5(6(9)10)8(11,12)13/h3-4H2,1-2H3
InChIKeyKVGLZEDVEQTSGQ-UHFFFAOYSA-N
MW231.16 g/mol
LogP2.57
Rot. Bonds3

About N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide

N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide (PubChem CID 12541730) has the molecular formula C8H10F5NO and a molecular weight of 231.16 g/mol. Its IUPAC name is N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
PubChem CID12541730
Molecular FormulaC8H10F5NO
Molecular Weight231.16 g/mol
Exact Mass231.07
IUPAC NameN,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
SMILESCCN(CC)C(=O)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C8H10F5NO/c1-3-14(4-2)7(15)5(6(9)10)8(11,12)13/h3-4H2,1-2H3
InChIKeyKVGLZEDVEQTSGQ-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 52.57
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-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide (CID 12541730) is N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide is CCN(CC)C(=O)C(=C(F)F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is KVGLZEDVEQTSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO/c1-3-14(4-2)7(15)5(6(9)10)8(11,12)13/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide?
N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 231.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 12541730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).