N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C11H7ClF7NO — CID 4554773

IUPACN-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NCc1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7ClF7NO/c12-7-4-2-1-3-6(7)5-20-8(21)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2,(H,20,21)
InChIKeyIVSPRXIFHPTBEK-UHFFFAOYSA-N
MW337.62 g/mol
LogP3.79
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 4554773) has the molecular formula C11H7ClF7NO and a molecular weight of 337.62 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID4554773
Molecular FormulaC11H7ClF7NO
Molecular Weight337.62 g/mol
Exact Mass337.01
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NCc1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7ClF7NO/c12-7-4-2-1-3-6(7)5-20-8(21)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2,(H,20,21)
InChIKeyIVSPRXIFHPTBEK-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 4554773) is N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(NCc1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is IVSPRXIFHPTBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF7NO/c12-7-4-2-1-3-6(7)5-20-8(21)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 337.62 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 4554773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).