2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane

C8H11F5O — CID 23236449

IUPAC2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane
SMILESCCCC(C)OC(=C(F)F)C(F)(F)F
InChIInChI=1S/C8H11F5O/c1-3-4-5(2)14-6(7(9)10)8(11,12)13/h5H,3-4H2,1-2H3
InChIKeyCEAPVHCMQJDXEV-UHFFFAOYSA-N
MW218.16 g/mol
LogP3.86
Rot. Bonds4

About 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane

2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane (PubChem CID 23236449) has the molecular formula C8H11F5O and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane.

Molecular Properties

Compound Name2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane
PubChem CID23236449
Molecular FormulaC8H11F5O
Molecular Weight218.16 g/mol
Exact Mass218.07
IUPAC Name2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane
SMILESCCCC(C)OC(=C(F)F)C(F)(F)F
InChIInChI=1S/C8H11F5O/c1-3-4-5(2)14-6(7(9)10)8(11,12)13/h5H,3-4H2,1-2H3
InChIKeyCEAPVHCMQJDXEV-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 53.86
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

1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
2-n-Hexyloxyperfluoropropene
CID 85958891
2-(1,1,3,3,3-Pentafluoroprop-1-en-2-yloxy)butane
CID 23236386
4-Ethoxy-1,1,1,2,3,3-hexafluoropentane
CID 13271509
1,1,1,2,3,3-Hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
CID 13271511
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yloxy)pentane
CID 18760919
1,1,1,2-Tetrafluoro-3-(1,1,1,2-tetrafluoropentan-3-yloxy)pentane
CID 21511543
2-(3,3,3-Trifluoropropoxy)pentane
CID 21657927
1,1,1-Trifluoro-2-(1,1,1-trifluoropentan-2-yloxy)pentane
CID 21954132
1,1,1,2,2,3,3-Heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane
CID 22646023
1-Butan-2-yloxy-2,2,3,4-tetrafluorobutane
CID 57667464
2-(1,1-Difluorobutoxy)-1,1,1,3,4-pentafluorobutane
CID 57667477

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane?
The IUPAC name of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane (CID 23236449) is 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane.
What is the SMILES notation for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane?
The canonical SMILES for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane is CCCC(C)OC(=C(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane?
The InChIKey is CEAPVHCMQJDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O/c1-3-4-5(2)14-6(7(9)10)8(11,12)13/h5H,3-4H2,1-2H3.
What are the key properties of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane?
2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane has a molecular weight of 218.16 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)pentane is sourced from PubChem (CID 23236449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).