4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene

C10H7F13 — CID 54167413

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene
SMILESC=CC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13/c1-3-4(2)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h3-4H,1H2,2H3
InChIKeyQGHFXRZGQMKNKT-UHFFFAOYSA-N
MW374.14 g/mol
LogP5.55
Rot. Bonds6

About 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene (PubChem CID 54167413) has the molecular formula C10H7F13 and a molecular weight of 374.14 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene
PubChem CID54167413
Molecular FormulaC10H7F13
Molecular Weight374.14 g/mol
Exact Mass374.03
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene
SMILESC=CC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13/c1-3-4(2)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h3-4H,1H2,2H3
InChIKeyQGHFXRZGQMKNKT-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.14
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene (CID 54167413) is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene is C=CC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene?
The InChIKey is QGHFXRZGQMKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F13/c1-3-4(2)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h3-4H,1H2,2H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene?
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene has a molecular weight of 374.14 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylnon-1-ene is sourced from PubChem (CID 54167413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).