N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide

C14H16F3NO2 — CID 56765421

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-2-3-4-13(20)18-9-12(19)10-5-7-11(8-6-10)14(15,16)17/h2,5-8,12,19H,1,3-4,9H2,(H,18,20)
InChIKeyCTRHGANYFFVWGQ-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.82
Rot. Bonds6

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide (PubChem CID 56765421) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide
PubChem CID56765421
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-2-3-4-13(20)18-9-12(19)10-5-7-11(8-6-10)14(15,16)17/h2,5-8,12,19H,1,3-4,9H2,(H,18,20)
InChIKeyCTRHGANYFFVWGQ-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide (CID 56765421) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide is C=CCCC(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide?
The InChIKey is CTRHGANYFFVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-2-3-4-13(20)18-9-12(19)10-5-7-11(8-6-10)14(15,16)17/h2,5-8,12,19H,1,3-4,9H2,(H,18,20).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide has a molecular weight of 287.28 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pent-4-enamide is sourced from PubChem (CID 56765421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).