5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene

C8H9F7 — CID 86128591

IUPAC5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene
SMILESCC(C)=CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F7/c1-5(2)3-4-6(9,7(10,11)12)8(13,14)15/h3H,4H2,1-2H3
InChIKeyQXCKMECBGHGWBI-UHFFFAOYSA-N
MW238.15 g/mol
LogP4.18
Rot. Bonds2

About 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene

5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene (PubChem CID 86128591) has the molecular formula C8H9F7 and a molecular weight of 238.15 g/mol. Its IUPAC name is 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene
PubChem CID86128591
Molecular FormulaC8H9F7
Molecular Weight238.15 g/mol
Exact Mass238.06
IUPAC Name5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene
SMILESCC(C)=CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F7/c1-5(2)3-4-6(9,7(10,11)12)8(13,14)15/h3H,4H2,1-2H3
InChIKeyQXCKMECBGHGWBI-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
5,6,6,7,7,7-Hexafluoro-4-(trifluoromethyl)-1,4-heptadiene
CID 3019663
1,1,1,2,2,3,3,4-Octafluoro-7,7-dimethyloct-4-ene
CID 71429345
5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
1,1,1,2,2,3,3-Heptafluorooct-4-ene
CID 138396278
(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
CID 12519453
5,5-Difluoro-2-methylpent-2-ene
CID 14092768
5,5,5-Trifluoro-2-methylpent-2-ene
CID 53930878
4-Ethyl-1,1,1-trifluoro-3-hexene
CID 14400284
1,1,1-Trifluoro-2-(trifluoromethyl)hex-2-ene
CID 640488
4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hex-2-ene
CID 5372631

Frequently Asked Questions

What is the IUPAC name of 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene?
The IUPAC name of 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene (CID 86128591) is 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene?
The canonical SMILES for 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene is CC(C)=CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene?
The InChIKey is QXCKMECBGHGWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7/c1-5(2)3-4-6(9,7(10,11)12)8(13,14)15/h3H,4H2,1-2H3.
What are the key properties of 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene?
5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene has a molecular weight of 238.15 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 86128591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).