(E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene

C10H11F9 — CID 14785119

IUPAC(E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene
SMILESCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F9/c1-2-3-4-5-6-7(11,12)8(13,14)9(15,16)10(17,18)19/h5-6H,2-4H2,1H3/b6-5+
InChIKeyVSDPIAWMPOHVMW-AATRIKPKSA-N
MW302.18 g/mol
LogP5.20
Rot. Bonds6

About (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene

(E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene (PubChem CID 14785119) has the molecular formula C10H11F9 and a molecular weight of 302.18 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene
PubChem CID14785119
Molecular FormulaC10H11F9
Molecular Weight302.18 g/mol
Exact Mass302.07
IUPAC Name(E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene
SMILESCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F9/c1-2-3-4-5-6-7(11,12)8(13,14)9(15,16)10(17,18)19/h5-6H,2-4H2,1H3/b6-5+
InChIKeyVSDPIAWMPOHVMW-AATRIKPKSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.18
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene?
The IUPAC name of (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene (CID 14785119) is (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene.
What is the SMILES notation for (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene?
The canonical SMILES for (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene is CCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene?
The InChIKey is VSDPIAWMPOHVMW-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11F9/c1-2-3-4-5-6-7(11,12)8(13,14)9(15,16)10(17,18)19/h5-6H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene?
(E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene has a molecular weight of 302.18 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,3,3,4,4-nonafluorodec-5-ene is sourced from PubChem (CID 14785119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).