5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne

C10H5F13 — CID 11749068

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne
SMILESC#CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F13/c1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H,3-4H2
InChIKeyNSHCIATUEWEOSC-UHFFFAOYSA-N
MW372.12 g/mol
LogP5.14
Rot. Bonds6

About 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne

5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne (PubChem CID 11749068) has the molecular formula C10H5F13 and a molecular weight of 372.12 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne
PubChem CID11749068
Molecular FormulaC10H5F13
Molecular Weight372.12 g/mol
Exact Mass372.02
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne
SMILESC#CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F13/c1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H,3-4H2
InChIKeyNSHCIATUEWEOSC-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.12
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne (CID 11749068) is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne is C#CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne?
The InChIKey is NSHCIATUEWEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F13/c1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H,3-4H2.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne?
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne has a molecular weight of 372.12 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-1-yne is sourced from PubChem (CID 11749068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).