2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide

C11H10F5NO — CID 14877204

IUPAC2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F5NO/c1-7(8-5-3-2-4-6-8)17-9(18)10(12,13)11(14,15)16/h2-7H,1H3,(H,17,18)/t7-/m0/s1
InChIKeyKTUMHIWSDPFWFT-ZETCQYMHSA-N
MW267.20 g/mol
LogP3.06
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide

2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 14877204) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
PubChem CID14877204
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F5NO/c1-7(8-5-3-2-4-6-8)17-9(18)10(12,13)11(14,15)16/h2-7H,1H3,(H,17,18)/t7-/m0/s1
InChIKeyKTUMHIWSDPFWFT-ZETCQYMHSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 53.06
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

2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
[(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium
CID 2484056
(3S)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide
CID 57381743
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 162812285
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide (CID 14877204) is 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is KTUMHIWSDPFWFT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-7(8-5-3-2-4-6-8)17-9(18)10(12,13)11(14,15)16/h2-7H,1H3,(H,17,18)/t7-/m0/s1.
What are the key properties of 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 267.20 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 14877204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).