8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene

C9H12F6 — CID 123611335

IUPAC8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene
SMILESCCC=CCCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6/c1-2-3-4-5-6-7(8(10,11)12)9(13,14)15/h3-4,7H,2,5-6H2,1H3
InChIKeyCZWTWAAYRAUDGK-UHFFFAOYSA-N
MW234.18 g/mol
LogP4.47
Rot. Bonds4

About 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene

8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene (PubChem CID 123611335) has the molecular formula C9H12F6 and a molecular weight of 234.18 g/mol. Its IUPAC name is 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene.

Molecular Properties

Compound Name8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene
PubChem CID123611335
Molecular FormulaC9H12F6
Molecular Weight234.18 g/mol
Exact Mass234.08
IUPAC Name8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene
SMILESCCC=CCCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6/c1-2-3-4-5-6-7(8(10,11)12)9(13,14)15/h3-4,7H,2,5-6H2,1H3
InChIKeyCZWTWAAYRAUDGK-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,7-difluorohept-3-ene
CID 54444112
(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
CID 88909552
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
7,7,7-trifluoro-6-methylhept-3-ene
CID 57248627
1,1,1-trifluorodocosa-13,16,19-trien-2-ol
CID 123994448
(E)-7,8-dimethyldec-3-ene
CID 164805816
1,1,1-trifluoro-8-methylnon-4-ene
CID 123891498
(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
CID 177270175
(Z)-1,1,1-trifluorohept-4-en-2-amine
CID 55283427
3-methylnon-6-en-1-amine
CID 54538650
2-ethyloct-5-en-1-ol
CID 54387692

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene?
The IUPAC name of 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene (CID 123611335) is 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene.
What is the SMILES notation for 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene?
The canonical SMILES for 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene is CCC=CCCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene?
The InChIKey is CZWTWAAYRAUDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6/c1-2-3-4-5-6-7(8(10,11)12)9(13,14)15/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene?
8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene has a molecular weight of 234.18 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene is sourced from PubChem (CID 123611335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).