1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene

C8H3F7O — CID 122554596

IUPAC1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene
SMILESC#CCOC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F7O/c1-2-3-16-5-4(9)6(10,11)8(14,15)7(5,12)13/h1H,3H2
InChIKeyDGBVZVNBCLPWFR-UHFFFAOYSA-N
MW248.10 g/mol
LogP2.74
Rot. Bonds2

About 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene

1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene (PubChem CID 122554596) has the molecular formula C8H3F7O and a molecular weight of 248.10 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene
PubChem CID122554596
Molecular FormulaC8H3F7O
Molecular Weight248.10 g/mol
Exact Mass248.01
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene
SMILESC#CCOC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F7O/c1-2-3-16-5-4(9)6(10,11)8(14,15)7(5,12)13/h1H,3H2
InChIKeyDGBVZVNBCLPWFR-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene (CID 122554596) is 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene is C#CCOC1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene?
The InChIKey is DGBVZVNBCLPWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F7O/c1-2-3-16-5-4(9)6(10,11)8(14,15)7(5,12)13/h1H,3H2.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene has a molecular weight of 248.10 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-prop-2-ynoxycyclopentene is sourced from PubChem (CID 122554596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).