1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene

C7F12O — CID 15606312

IUPAC1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene
SMILESFC(F)=C(F)OC(F)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C7F12O/c8-1(2(9)10)5(14,15)6(16,7(17,18)19)20-4(13)3(11)12
InChIKeyCQFRQNIHJCTFRW-UHFFFAOYSA-N
MW328.05 g/mol
LogP4.98
Rot. Bonds4

About 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene

1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene (PubChem CID 15606312) has the molecular formula C7F12O and a molecular weight of 328.05 g/mol. Its IUPAC name is 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene
PubChem CID15606312
Molecular FormulaC7F12O
Molecular Weight328.05 g/mol
Exact Mass327.98
IUPAC Name1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene
SMILESFC(F)=C(F)OC(F)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C7F12O/c8-1(2(9)10)5(14,15)6(16,7(17,18)19)20-4(13)3(11)12
InChIKeyCQFRQNIHJCTFRW-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.05
LogP ≤ 54.98
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-Butene, 1,1,2,3,3,4,4-heptafluoro-4-[(trifluoroethenyl)oxy]-
CID 11460110
1,1,2,3,3,4,4-Heptafluoro-4-(trifluoromethoxy)but-1-ene
CID 12498045
1,1,2,3,3,4,5,5,5-Nonafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-1-ene
CID 12498048
2-Trifluoromethylpentafluoro-2,3-dihydrofuran
CID 129746141
1,1,2,3,3,4,4,5,5-Nonafluoro-5-[(trifluoroethenyl)oxy]pent-1-ene
CID 14496010
3-[Difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene
CID 22133710
1,1,2,3,3,5,5-Heptafluoro-4-(1,1,3,3,4,5,5-heptafluoropenta-1,4-dien-2-yloxy)penta-1,4-diene
CID 53808419
1,1,2,3,3,4,5,5,6,6,6-Undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene
CID 86233517
1,2,3,3,4,4,5,5,5-Nonafluoro-1-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 87483460
1,1,1,2,3,3,4,5,5-Nonafluoropent-4-en-2-yl hypofluorite
CID 131973025
1,2,3,3,4,5,5,5-Octafluoro-1-[1,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethoxy)pent-1-enoxy]-4-(trifluoromethoxy)pent-1-ene
CID 140369013

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The IUPAC name of 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene (CID 15606312) is 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The canonical SMILES for 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene is FC(F)=C(F)OC(F)(C(F)(F)F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The InChIKey is CQFRQNIHJCTFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12O/c8-1(2(9)10)5(14,15)6(16,7(17,18)19)20-4(13)3(11)12.
What are the key properties of 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene?
1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene has a molecular weight of 328.05 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene is sourced from PubChem (CID 15606312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).