1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene

C8H5F11O — CID 175824425

IUPAC1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene
SMILESCC(C=C(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11O/c1-3(2-4(9)5(10,11)12)20-8(18,19)6(13,14)7(15,16)17/h2-3H,1H3
InChIKeyPHHANFPCKMKJSA-UHFFFAOYSA-N
MW326.11 g/mol
LogP4.60
Rot. Bonds4

About 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene

1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene (PubChem CID 175824425) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene
PubChem CID175824425
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene
SMILESCC(C=C(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11O/c1-3(2-4(9)5(10,11)12)20-8(18,19)6(13,14)7(15,16)17/h2-3H,1H3
InChIKeyPHHANFPCKMKJSA-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene?
The IUPAC name of 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene (CID 175824425) is 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene.
What is the SMILES notation for 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene?
The canonical SMILES for 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene is CC(C=C(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene?
The InChIKey is PHHANFPCKMKJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c1-3(2-4(9)5(10,11)12)20-8(18,19)6(13,14)7(15,16)17/h2-3H,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene?
1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene has a molecular weight of 326.11 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene is sourced from PubChem (CID 175824425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).