1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene

C9H5F13 — CID 87932029

IUPAC1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene
SMILESCC(CF)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F13/c1-5(2-10,6(14,15)3(11)4(12)13)7(16,17)8(18,19)9(20,21)22/h2H2,1H3
InChIKeyGIMURPHPXHJXGF-UHFFFAOYSA-N
MW360.11 g/mol
LogP5.51
Rot. Bonds5

About 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene

1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene (PubChem CID 87932029) has the molecular formula C9H5F13 and a molecular weight of 360.11 g/mol. Its IUPAC name is 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene
PubChem CID87932029
Molecular FormulaC9H5F13
Molecular Weight360.11 g/mol
Exact Mass360.02
IUPAC Name1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene
SMILESCC(CF)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F13/c1-5(2-10,6(14,15)3(11)4(12)13)7(16,17)8(18,19)9(20,21)22/h2H2,1H3
InChIKeyGIMURPHPXHJXGF-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.11
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene?
The IUPAC name of 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene (CID 87932029) is 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene.
What is the SMILES notation for 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene?
The canonical SMILES for 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene is CC(CF)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene?
The InChIKey is GIMURPHPXHJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13/c1-5(2-10,6(14,15)3(11)4(12)13)7(16,17)8(18,19)9(20,21)22/h2H2,1H3.
What are the key properties of 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene?
1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene has a molecular weight of 360.11 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,5,5,6,6,7,7,7-dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene is sourced from PubChem (CID 87932029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).