2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide

C10H8F13NO — CID 3554543

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F13NO/c1-2-3-24-4(25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H2,1H3,(H,24,25)
InChIKeyXWKLSONFXJRUAZ-UHFFFAOYSA-N
MW405.15 g/mol
LogP4.25
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide (PubChem CID 3554543) has the molecular formula C10H8F13NO and a molecular weight of 405.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide
PubChem CID3554543
Molecular FormulaC10H8F13NO
Molecular Weight405.15 g/mol
Exact Mass405.04
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F13NO/c1-2-3-24-4(25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H2,1H3,(H,24,25)
InChIKeyXWKLSONFXJRUAZ-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.15
LogP ≤ 54.25
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 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide (CID 3554543) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide is CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide?
The InChIKey is XWKLSONFXJRUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F13NO/c1-2-3-24-4(25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H2,1H3,(H,24,25).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide has a molecular weight of 405.15 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide is sourced from PubChem (CID 3554543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).