1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene

C7H8F6 — CID 640488

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene
SMILESCCCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h4H,2-3H2,1H3
InChIKeyBQACERYQMCWSMY-UHFFFAOYSA-N
MW206.13 g/mol
LogP3.84
Rot. Bonds2

About 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene

1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene (PubChem CID 640488) has the molecular formula C7H8F6 and a molecular weight of 206.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene
PubChem CID640488
Molecular FormulaC7H8F6
Molecular Weight206.13 g/mol
Exact Mass206.05
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene
SMILESCCCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h4H,2-3H2,1H3
InChIKeyBQACERYQMCWSMY-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-2-(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
5,6,6,7,7,8,8,8-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-Butylheptafluoroisobutene
CID 23264459
5,5-Difluoro-2-methylpent-2-ene
CID 14092768
5,5,5-Trifluoro-2-methylpent-2-ene
CID 53930878
Tetrafluorohept-2-ene
CID 129691832
1,1,1-Trifluoro-2-(trifluoromethyl)hept-2-ene
CID 13027673
(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-ene
CID 57455082
5,5,6,6,7,7,7-Heptafluoro-2-methyl-2-heptene
CID 24973628
5,5,6,6,6-Pentafluoro-2-methylhex-2-ene
CID 86128587
5,6,6,6-Tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene
CID 86128591

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene (CID 640488) is 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene is CCCC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene?
The InChIKey is BQACERYQMCWSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h4H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene?
1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene has a molecular weight of 206.13 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 640488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).