N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide

C14H14F3NO2 — CID 166408199

IUPACN-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(F)(F)F)c(CC2COC2)c1
InChIInChI=1S/C14H14F3NO2/c1-2-13(19)18-11-3-4-12(14(15,16)17)10(6-11)5-9-7-20-8-9/h2-4,6,9H,1,5,7-8H2,(H,18,19)
InChIKeyVFPYOBFVMFLOOF-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.02
Rot. Bonds4

About N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide

N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 166408199) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID166408199
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC NameN-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(F)(F)F)c(CC2COC2)c1
InChIInChI=1S/C14H14F3NO2/c1-2-13(19)18-11-3-4-12(14(15,16)17)10(6-11)5-9-7-20-8-9/h2-4,6,9H,1,5,7-8H2,(H,18,19)
InChIKeyVFPYOBFVMFLOOF-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide (CID 166408199) is N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(F)(F)F)c(CC2COC2)c1.
What is the InChIKey of N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is VFPYOBFVMFLOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-2-13(19)18-11-3-4-12(14(15,16)17)10(6-11)5-9-7-20-8-9/h2-4,6,9H,1,5,7-8H2,(H,18,19).
What are the key properties of N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide?
N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 285.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 166408199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).