1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene

C7H6F8 — CID 54114051

IUPAC1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene
SMILESCCC(F)(F)C(F)(F)C(=CF)C(F)(F)F
InChIInChI=1S/C7H6F8/c1-2-5(9,10)6(11,12)4(3-8)7(13,14)15/h3H,2H2,1H3
InChIKeyNJCGGBUISDIVKT-UHFFFAOYSA-N
MW242.11 g/mol
LogP4.08
Rot. Bonds3

About 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene

1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene (PubChem CID 54114051) has the molecular formula C7H6F8 and a molecular weight of 242.11 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene
PubChem CID54114051
Molecular FormulaC7H6F8
Molecular Weight242.11 g/mol
Exact Mass242.03
IUPAC Name1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene
SMILESCCC(F)(F)C(F)(F)C(=CF)C(F)(F)F
InChIInChI=1S/C7H6F8/c1-2-5(9,10)6(11,12)4(3-8)7(13,14)15/h3H,2H2,1H3
InChIKeyNJCGGBUISDIVKT-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoropentane
CID 12951106
2,2,3,3-tetrafluoro-1-methoxypentane
CID 168826300
3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene
CID 15653759
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorononan-1-ol
CID 162621203
1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
CID 123613644
2,3,3,4,4-pentafluoro-2-methylhexane
CID 170083407
4,4-difluoro-2,2,3,3-tetramethylhexane
CID 59226998
2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol
CID 87318533
(E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol
CID 173492796
1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
CID 129271800
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene (CID 54114051) is 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene is CCC(F)(F)C(F)(F)C(=CF)C(F)(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene?
The InChIKey is NJCGGBUISDIVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8/c1-2-5(9,10)6(11,12)4(3-8)7(13,14)15/h3H,2H2,1H3.
What are the key properties of 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene?
1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene has a molecular weight of 242.11 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 54114051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).