3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene

C7H6F8O — CID 142310486

IUPAC3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene
SMILESC=C(C)C(F)(F)C(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H6F8O/c1-3(2)5(9,10)4(8)6(11,12)16-7(13,14)15/h4H,1H2,2H3
InChIKeyHTEIFXMXZBESGM-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.67
Rot. Bonds4

About 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene

3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene (PubChem CID 142310486) has the molecular formula C7H6F8O and a molecular weight of 258.11 g/mol. Its IUPAC name is 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene.

Molecular Properties

Compound Name3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene
PubChem CID142310486
Molecular FormulaC7H6F8O
Molecular Weight258.11 g/mol
Exact Mass258.03
IUPAC Name3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene
SMILESC=C(C)C(F)(F)C(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H6F8O/c1-3(2)5(9,10)4(8)6(11,12)16-7(13,14)15/h4H,1H2,2H3
InChIKeyHTEIFXMXZBESGM-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene?
The IUPAC name of 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene (CID 142310486) is 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene.
What is the SMILES notation for 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene?
The canonical SMILES for 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene is C=C(C)C(F)(F)C(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene?
The InChIKey is HTEIFXMXZBESGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O/c1-3(2)5(9,10)4(8)6(11,12)16-7(13,14)15/h4H,1H2,2H3.
What are the key properties of 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene?
3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene has a molecular weight of 258.11 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentafluoro-2-methyl-5-(trifluoromethoxy)pent-1-ene is sourced from PubChem (CID 142310486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).