4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol

C8H5F11O2 — CID 131851868

IUPAC4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol
SMILESOCC=CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F11O2/c9-4(2-1-3-20,6(12,13)14)21-8(18,19)5(10,11)7(15,16)17/h1-2,20H,3H2
InChIKeyKDMGXDLVLHFXHD-UHFFFAOYSA-N
MW342.10 g/mol
LogP3.57
Rot. Bonds5

About 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol

4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol (PubChem CID 131851868) has the molecular formula C8H5F11O2 and a molecular weight of 342.10 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol
PubChem CID131851868
Molecular FormulaC8H5F11O2
Molecular Weight342.10 g/mol
Exact Mass342.01
IUPAC Name4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol
SMILESOCC=CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F11O2/c9-4(2-1-3-20,6(12,13)14)21-8(18,19)5(10,11)7(15,16)17/h1-2,20H,3H2
InChIKeyKDMGXDLVLHFXHD-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol (CID 131851868) is 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol is OCC=CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol?
The InChIKey is KDMGXDLVLHFXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O2/c9-4(2-1-3-20,6(12,13)14)21-8(18,19)5(10,11)7(15,16)17/h1-2,20H,3H2.
What are the key properties of 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol?
4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol has a molecular weight of 342.10 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol is sourced from PubChem (CID 131851868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).