2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide

C12H10F7NO2 — CID 3253809

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide
SMILESO=C(NCC(O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F7NO2/c13-10(14,11(15,16)12(17,18)19)9(22)20-6-8(21)7-4-2-1-3-5-7/h1-5,8,21H,6H2,(H,20,22)
InChIKeyMXFOGULKLYEYPW-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.67
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide (PubChem CID 3253809) has the molecular formula C12H10F7NO2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide
PubChem CID3253809
Molecular FormulaC12H10F7NO2
Molecular Weight333.20 g/mol
Exact Mass333.06
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide
SMILESO=C(NCC(O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F7NO2/c13-10(14,11(15,16)12(17,18)19)9(22)20-6-8(21)7-4-2-1-3-5-7/h1-5,8,21H,6H2,(H,20,22)
InChIKeyMXFOGULKLYEYPW-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4525398
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 107335113
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43416331
(2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 11473902
1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
CID 43502422
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide (CID 3253809) is 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide is O=C(NCC(O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide?
The InChIKey is MXFOGULKLYEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F7NO2/c13-10(14,11(15,16)12(17,18)19)9(22)20-6-8(21)7-4-2-1-3-5-7/h1-5,8,21H,6H2,(H,20,22).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide has a molecular weight of 333.20 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide is sourced from PubChem (CID 3253809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).