2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide

C12H13F4NO — CID 113250858

IUPAC2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H13F4NO/c1-2-9(8-6-4-3-5-7-8)17-11(18)12(15,16)10(13)14/h3-7,9-10H,2H2,1H3,(H,17,18)
InChIKeyXTPYFIFCTQIUSY-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.15
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide

2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide (PubChem CID 113250858) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
PubChem CID113250858
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H13F4NO/c1-2-9(8-6-4-3-5-7-8)17-11(18)12(15,16)10(13)14/h3-7,9-10H,2H2,1H3,(H,17,18)
InChIKeyXTPYFIFCTQIUSY-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-3-(2,2,3,3-tetrafluoropropanoylamino)propanoic acid
CID 103804023
N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
CID 103733000
2-(aminomethyl)-N-(1-phenylpropyl)-2-propylpentanamide
CID 62305900
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide
CID 43911866
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
(1S,2S,3S,4R)-3-[[(1S)-1-phenylpropyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11861214
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide (CID 113250858) is 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide?
The InChIKey is XTPYFIFCTQIUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-2-9(8-6-4-3-5-7-8)17-11(18)12(15,16)10(13)14/h3-7,9-10H,2H2,1H3,(H,17,18).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide?
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide has a molecular weight of 263.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 113250858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).