N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide

C14H17F4NO2 — CID 56793605

IUPACN-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(NC(=O)CCOCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C14H17F4NO2/c1-13(2,10-4-3-5-11(15)8-10)19-12(20)6-7-21-9-14(16,17)18/h3-5,8H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyCGAJIAKPZDNCGZ-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 56793605) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID56793605
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC NameN-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(NC(=O)CCOCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C14H17F4NO2/c1-13(2,10-4-3-5-11(15)8-10)19-12(20)6-7-21-9-14(16,17)18/h3-5,8H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyCGAJIAKPZDNCGZ-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 56793605) is N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)(NC(=O)CCOCC(F)(F)F)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CGAJIAKPZDNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c1-13(2,10-4-3-5-11(15)8-10)19-12(20)6-7-21-9-14(16,17)18/h3-5,8H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 307.29 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 56793605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).