6-(trifluoromethoxy)hex-1-ene

C7H11F3O — CID 58219566

IUPAC6-(trifluoromethoxy)hex-1-ene
SMILESC=CCCCCOC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-2-3-4-5-6-11-7(8,9)10/h2H,1,3-6H2
InChIKeySLIVCPPBWSQKOH-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.88
Rot. Bonds5

About 6-(trifluoromethoxy)hex-1-ene

6-(trifluoromethoxy)hex-1-ene (PubChem CID 58219566) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 6-(trifluoromethoxy)hex-1-ene.

Molecular Properties

Compound Name6-(trifluoromethoxy)hex-1-ene
PubChem CID58219566
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name6-(trifluoromethoxy)hex-1-ene
SMILESC=CCCCCOC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-2-3-4-5-6-11-7(8,9)10/h2H,1,3-6H2
InChIKeySLIVCPPBWSQKOH-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Difluorohex-5-en-1-ol
CID 150546008
6-[2,2,3,3,4,4-Hexafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butoxy]hex-1-ene
CID 17897664
6-[2,2,3,3,4,4-Hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butoxy]hex-1-ene
CID 17897666
6-[2,2,3,3,4,4-Hexafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)butoxy]hex-1-ene
CID 17897671
5-(Trifluoromethoxy)pent-1-ene
CID 59366565
5-(3,3,3-Trifluoropropoxy)pent-1-ene
CID 59366589
1,1-Difluoro-6-methoxyhex-1-ene
CID 91005146
5-(2,2,2-Trifluoroethoxy)pent-1-ene
CID 132270579
5-Fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 139688808
CID 141249310
CID 141249310
5-Ethoxy-4,4-difluoropent-1-ene
CID 144877166
Hex-5-enyl hypofluorite
CID 152494992

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)hex-1-ene?
The IUPAC name of 6-(trifluoromethoxy)hex-1-ene (CID 58219566) is 6-(trifluoromethoxy)hex-1-ene.
What is the SMILES notation for 6-(trifluoromethoxy)hex-1-ene?
The canonical SMILES for 6-(trifluoromethoxy)hex-1-ene is C=CCCCCOC(F)(F)F.
What is the InChIKey of 6-(trifluoromethoxy)hex-1-ene?
The InChIKey is SLIVCPPBWSQKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-2-3-4-5-6-11-7(8,9)10/h2H,1,3-6H2.
What are the key properties of 6-(trifluoromethoxy)hex-1-ene?
6-(trifluoromethoxy)hex-1-ene has a molecular weight of 168.16 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)hex-1-ene is sourced from PubChem (CID 58219566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).