2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran

C8H5F7O — CID 87197835

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
SMILESFC(F)(F)C(F)(F)C(F)(F)C1C=CC=CO1
InChIInChI=1S/C8H5F7O/c9-6(10,5-3-1-2-4-16-5)7(11,12)8(13,14)15/h1-5H
InChIKeyQZMWHFYXDOZEHZ-UHFFFAOYSA-N
MW250.11 g/mol
LogP3.29
Rot. Bonds2

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran

2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran (PubChem CID 87197835) has the molecular formula C8H5F7O and a molecular weight of 250.11 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
PubChem CID87197835
Molecular FormulaC8H5F7O
Molecular Weight250.11 g/mol
Exact Mass250.02
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
SMILESFC(F)(F)C(F)(F)C(F)(F)C1C=CC=CO1
InChIInChI=1S/C8H5F7O/c9-6(10,5-3-1-2-4-16-5)7(11,12)8(13,14)15/h1-5H
InChIKeyQZMWHFYXDOZEHZ-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 53.29
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 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran (CID 87197835) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran is FC(F)(F)C(F)(F)C(F)(F)C1C=CC=CO1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran?
The InChIKey is QZMWHFYXDOZEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F7O/c9-6(10,5-3-1-2-4-16-5)7(11,12)8(13,14)15/h1-5H.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran has a molecular weight of 250.11 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran is sourced from PubChem (CID 87197835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).