2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene

C8H2F14O — CID 131726624

IUPAC2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene
SMILESC=C(C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14O/c1-2(3(9,10)6(14,15)16)4(11,12)23-5(13,7(17,18)19)8(20,21)22/h1H2
InChIKeyIDHLTPIHJAPEGJ-UHFFFAOYSA-N
MW380.08 g/mol
LogP5.14
Rot. Bonds4

About 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene

2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene (PubChem CID 131726624) has the molecular formula C8H2F14O and a molecular weight of 380.08 g/mol. Its IUPAC name is 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene.

Molecular Properties

Compound Name2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene
PubChem CID131726624
Molecular FormulaC8H2F14O
Molecular Weight380.08 g/mol
Exact Mass379.99
IUPAC Name2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene
SMILESC=C(C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14O/c1-2(3(9,10)6(14,15)16)4(11,12)23-5(13,7(17,18)19)8(20,21)22/h1H2
InChIKeyIDHLTPIHJAPEGJ-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.08
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene
CID 56625874
1,1,2,3,4,4,5,5,5-nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
CID 141460580
1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802178
1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one
CID 23236340
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylidenenonane
CID 23437686
3-[difluoro(trifluoromethoxy)methoxy]-2,3,3-trifluoroprop-1-ene
CID 175944751
2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene
CID 2773786
2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 45075722
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 12663045
2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride
CID 88684763
[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate
CID 131724887
2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 102331882

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene?
The IUPAC name of 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene (CID 131726624) is 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene.
What is the SMILES notation for 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene?
The canonical SMILES for 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene is C=C(C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene?
The InChIKey is IDHLTPIHJAPEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F14O/c1-2(3(9,10)6(14,15)16)4(11,12)23-5(13,7(17,18)19)8(20,21)22/h1H2.
What are the key properties of 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene?
2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene has a molecular weight of 380.08 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-3,3,4,4,4-pentafluorobut-1-ene is sourced from PubChem (CID 131726624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).