N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

C12H10F7NO2 — CID 4608995

IUPACN-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCOc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F7NO2/c1-2-22-8-6-4-3-5-7(8)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)
InChIKeySSIFZGGAHOVXQC-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.86
Rot. Bonds5

About N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 4608995) has the molecular formula C12H10F7NO2 and a molecular weight of 333.20 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID4608995
Molecular FormulaC12H10F7NO2
Molecular Weight333.20 g/mol
Exact Mass333.06
IUPAC NameN-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCOc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F7NO2/c1-2-22-8-6-4-3-5-7(8)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)
InChIKeySSIFZGGAHOVXQC-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.86
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 4608995) is N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide is CCOc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is SSIFZGGAHOVXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F7NO2/c1-2-22-8-6-4-3-5-7(8)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21).
What are the key properties of N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 333.20 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 4608995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).