5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene

C6H6F6 — CID 139426621

IUPAC5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h1-3H2
InChIKeyLHEAGNAMDZTEIU-UHFFFAOYSA-N
MW192.10 g/mol
LogP3.45
Rot. Bonds2

About 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene

5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene (PubChem CID 139426621) has the molecular formula C6H6F6 and a molecular weight of 192.10 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene
PubChem CID139426621
Molecular FormulaC6H6F6
Molecular Weight192.10 g/mol
Exact Mass192.04
IUPAC Name5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h1-3H2
InChIKeyLHEAGNAMDZTEIU-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 53.45
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

1,1,4,4,5,5,5-Heptafluoro-2-(trifluoromethyl)-1-pentene
CID 11311586
2-Methyl-3,3,4,4,5,5,5-heptafluoro-pent-1-ene
CID 19091131
(E)-1,4,4,5,5,5-hexafluoro-2-(trifluoromethyl)pent-1-ene
CID 23266236
4,4,5,5,5-Pentafluoro-2-(trifluoromethyl)pent-1-ene
CID 71429448
(Z)-1,4,4,5,5,5-hexafluoro-2-(trifluoromethyl)pent-1-ene
CID 87113279
1,1,1,2,3,3-Hexafluoro-5-methylhexene-5
CID 12562976
1,1,4,4,5,5,5-Heptafluoro-2-methylpent-1-ene
CID 23266238
1,1,2,2-Tetrafluoro-3-methylenecyclobutane
CID 12637091
3,3,4,4,4-Pentafluoro-2-methylbut-1-ene
CID 19091140
1,1,3,3-Tetrafluoro-2-(trifluoromethyl)pent-1-ene
CID 19788864
3,3,5,5,5-Pentafluoro-2-(trifluoromethyl)pent-1-ene
CID 20802293
4,4,4-Trifluoro-2-(trifluoromethyl)but-1-ene
CID 20802310

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene (CID 139426621) is 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene is C=C(CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene?
The InChIKey is LHEAGNAMDZTEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h1-3H2.
What are the key properties of 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene?
5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene has a molecular weight of 192.10 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 139426621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).