2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide

C13H15F4NO2 — CID 103733060

IUPAC2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccccc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C13H15F4NO2/c1-8(2)7-20-10-6-4-3-5-9(10)18-12(19)13(16,17)11(14)15/h3-6,8,11H,7H2,1-2H3,(H,18,19)
InChIKeyVYTULEJZLCWVPI-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.56
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide (PubChem CID 103733060) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide
PubChem CID103733060
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccccc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C13H15F4NO2/c1-8(2)7-20-10-6-4-3-5-9(10)18-12(19)13(16,17)11(14)15/h3-6,8,11H,7H2,1-2H3,(H,18,19)
InChIKeyVYTULEJZLCWVPI-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 103732361
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
2-amino-2-cyclopropyl-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 60928638
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 110901135
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 79203312
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide (CID 103733060) is 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide is CC(C)COc1ccccc1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is VYTULEJZLCWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-8(2)7-20-10-6-4-3-5-9(10)18-12(19)13(16,17)11(14)15/h3-6,8,11H,7H2,1-2H3,(H,18,19).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 293.26 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 103733060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).