1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene

C12H15F9O — CID 158465317

IUPAC1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene
SMILESCC(C)OC(=C(C(C)C(F)(F)F)C(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H15F9O/c1-5(2)22-9(12(19,20)21)8(6(3)10(13,14)15)7(4)11(16,17)18/h5-7H,1-4H3
InChIKeyHFRIXLHCGWQBIT-UHFFFAOYSA-N
MW346.23 g/mol
LogP5.62
Rot. Bonds4

About 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene

1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene (PubChem CID 158465317) has the molecular formula C12H15F9O and a molecular weight of 346.23 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene
PubChem CID158465317
Molecular FormulaC12H15F9O
Molecular Weight346.23 g/mol
Exact Mass346.10
IUPAC Name1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene
SMILESCC(C)OC(=C(C(C)C(F)(F)F)C(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H15F9O/c1-5(2)22-9(12(19,20)21)8(6(3)10(13,14)15)7(4)11(16,17)18/h5-7H,1-4H3
InChIKeyHFRIXLHCGWQBIT-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.23
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,1,1,4,4,5,5,5-Octafluoro-3-propan-2-yloxy-2-(trifluoromethyl)pent-2-ene
CID 13513419
3-Butan-2-yloxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 13513420
1,1,1,4,4,5,5,5-Octafluoro-3-(2-methylpropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513421
1,1,1,4,5,5,5-Heptafluoro-3-(3-methylbutoxy)-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761938
3-Butoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761956
1,1,1,4,5,5,5-Heptafluoro-3-propan-2-yloxy-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761971
3-Butoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 19761976
1,1,1,4,4,5,5,5-Octafluoro-3-(3-methylbutoxy)-2-(trifluoromethyl)pent-2-ene
CID 19761980
4-(Difluoromethyl)-2-ethoxy-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 53682565
4-(Difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene
CID 54288252
1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene
CID 59669335
1,1,1,4,5,5,5-Heptafluoro-2-(2-methoxyethoxy)-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene
CID 89409584

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene (CID 158465317) is 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene is CC(C)OC(=C(C(C)C(F)(F)F)C(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene?
The InChIKey is HFRIXLHCGWQBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9O/c1-5(2)22-9(12(19,20)21)8(6(3)10(13,14)15)7(4)11(16,17)18/h5-7H,1-4H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene?
1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene has a molecular weight of 346.23 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-methyl-2-propan-2-yloxy-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene is sourced from PubChem (CID 158465317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).