N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide

C11H7F6NO — CID 127124980

IUPACN-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H7F6NO/c1-2-9(19)18-8-4-6(10(12,13)14)3-7(5-8)11(15,16)17/h2-5H,1H2,(H,18,19)
InChIKeyOQVKOZLZNWNAHC-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.85
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide

N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 127124980) has the molecular formula C11H7F6NO and a molecular weight of 283.17 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID127124980
Molecular FormulaC11H7F6NO
Molecular Weight283.17 g/mol
Exact Mass283.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H7F6NO/c1-2-9(19)18-8-4-6(10(12,13)14)3-7(5-8)11(15,16)17/h2-5H,1H2,(H,18,19)
InChIKeyOQVKOZLZNWNAHC-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.85
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-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide (CID 127124980) is N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is OQVKOZLZNWNAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO/c1-2-9(19)18-8-4-6(10(12,13)14)3-7(5-8)11(15,16)17/h2-5H,1H2,(H,18,19).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide?
N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 283.17 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 127124980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).