(E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene

C10H10F10 — CID 135128627

IUPAC(E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene
SMILESC[C@H](C(F)(F)/C(F)=C(\F)C(C)(F)F)C(F)(F)C(C)(F)F
InChIInChI=1S/C10H10F10/c1-4(10(19,20)8(3,15)16)9(17,18)6(12)5(11)7(2,13)14/h4H,1-3H3/b6-5+/t4-/m1/s1
InChIKeyICJJHVRDWDMJPA-QAWSSWINSA-N
MW320.17 g/mol
LogP5.35
Rot. Bonds5

About (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene

(E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene (PubChem CID 135128627) has the molecular formula C10H10F10 and a molecular weight of 320.17 g/mol. Its IUPAC name is (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene.

Molecular Properties

Compound Name(E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene
PubChem CID135128627
Molecular FormulaC10H10F10
Molecular Weight320.17 g/mol
Exact Mass320.06
IUPAC Name(E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene
SMILESC[C@H](C(F)(F)/C(F)=C(\F)C(C)(F)F)C(F)(F)C(C)(F)F
InChIInChI=1S/C10H10F10/c1-4(10(19,20)8(3,15)16)9(17,18)6(12)5(11)7(2,13)14/h4H,1-3H3/b6-5+/t4-/m1/s1
InChIKeyICJJHVRDWDMJPA-QAWSSWINSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.17
LogP ≤ 55.35
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 (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene?
The IUPAC name of (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene (CID 135128627) is (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene.
What is the SMILES notation for (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene?
The canonical SMILES for (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene is C[C@H](C(F)(F)/C(F)=C(\F)C(C)(F)F)C(F)(F)C(C)(F)F.
What is the InChIKey of (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene?
The InChIKey is ICJJHVRDWDMJPA-QAWSSWINSA-N. The full InChI is InChI=1S/C10H10F10/c1-4(10(19,20)8(3,15)16)9(17,18)6(12)5(11)7(2,13)14/h4H,1-3H3/b6-5+/t4-/m1/s1.
What are the key properties of (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene?
(E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene has a molecular weight of 320.17 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-2,2,3,4,5,5,7,7,8,8-decafluoro-6-methylnon-3-ene is sourced from PubChem (CID 135128627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).