N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide

C12H10F7NO — CID 22168975

IUPACN-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H10F7NO/c1-2-9(21)20-8-5-3-7(4-6-8)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)
InChIKeyZIOMCWHPTNZVIX-UHFFFAOYSA-N
MW317.20 g/mol
LogP4.32
Rot. Bonds4

About N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide

N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide (PubChem CID 22168975) has the molecular formula C12H10F7NO and a molecular weight of 317.20 g/mol. Its IUPAC name is N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide
PubChem CID22168975
Molecular FormulaC12H10F7NO
Molecular Weight317.20 g/mol
Exact Mass317.07
IUPAC NameN-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H10F7NO/c1-2-9(21)20-8-5-3-7(4-6-8)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)
InChIKeyZIOMCWHPTNZVIX-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 54.32
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

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N-[4-(propan-2-ylamino)phenyl]propanamide
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3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
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N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
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ethane;methane;N-phenylpropanamide
CID 159778408
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CID 1274275

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide?
The IUPAC name of N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide (CID 22168975) is N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide?
The canonical SMILES for N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide is CCC(=O)Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide?
The InChIKey is ZIOMCWHPTNZVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F7NO/c1-2-9(21)20-8-5-3-7(4-6-8)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21).
What are the key properties of N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide?
N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide has a molecular weight of 317.20 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide is sourced from PubChem (CID 22168975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).