(E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene

C10H13F7 — CID 143087516

IUPAC(E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene
SMILESC/C=C/CCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F7/c1-2-3-4-5-6-7-8(11,9(12,13)14)10(15,16)17/h2-3H,4-7H2,1H3/b3-2+
InChIKeyMBRDIVFOZICVKG-NSCUHMNNSA-N
MW266.20 g/mol
LogP4.96
Rot. Bonds5

About (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene

(E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene (PubChem CID 143087516) has the molecular formula C10H13F7 and a molecular weight of 266.20 g/mol. Its IUPAC name is (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene.

Molecular Properties

Compound Name(E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene
PubChem CID143087516
Molecular FormulaC10H13F7
Molecular Weight266.20 g/mol
Exact Mass266.09
IUPAC Name(E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene
SMILESC/C=C/CCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F7/c1-2-3-4-5-6-7-8(11,9(12,13)14)10(15,16)17/h2-3H,4-7H2,1H3/b3-2+
InChIKeyMBRDIVFOZICVKG-NSCUHMNNSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 54.96
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene?
The IUPAC name of (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene (CID 143087516) is (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene.
What is the SMILES notation for (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene?
The canonical SMILES for (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene is C/C=C/CCCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene?
The InChIKey is MBRDIVFOZICVKG-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13F7/c1-2-3-4-5-6-7-8(11,9(12,13)14)10(15,16)17/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene?
(E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene has a molecular weight of 266.20 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,9,9,9-tetrafluoro-8-(trifluoromethyl)non-2-ene is sourced from PubChem (CID 143087516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).