2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran

C8F14O — CID 582843

IUPAC2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran
SMILESFC1(F)OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
InChIInChI=1S/C8F14O/c9-1-2(10,11)4(14,15)5(16,17)6(18,19)7(1,20)23-8(21,22)3(1,12)13
InChIKeyKJCVWRLZDYIJND-UHFFFAOYSA-N
MW378.06 g/mol
LogP4.17
Rot. Bonds

About 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran

2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran (PubChem CID 582843) has the molecular formula C8F14O and a molecular weight of 378.06 g/mol. Its IUPAC name is 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran.

Molecular Properties

Compound Name2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran
PubChem CID582843
Molecular FormulaC8F14O
Molecular Weight378.06 g/mol
Exact Mass377.97
IUPAC Name2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran
SMILESFC1(F)OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
InChIInChI=1S/C8F14O/c9-1-2(10,11)4(14,15)5(16,17)6(18,19)7(1,20)23-8(21,22)3(1,12)13
InChIKeyKJCVWRLZDYIJND-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran with MolForge

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Related Compounds

Perfluoro(3-methyl-1-oxaspiro[4.5]decane)
CID 582845
Perfluoro(1-oxaspiro[4.5]decane)
CID 550260
Perfluoro(6-methoxy-7-oxabicyclo[4.3.0]nonane)
CID 550534
2,3,3,3a,4,4,5,5,6,6,7,7,7a-Tridecafluoro-2-(trifluoromethoxy)-1-benzofuran
CID 12566440
2,2,3,3a,4,4,5,5,6,6,7,7,7a-Tridecafluoro-3-(trifluoromethyl)-1-benzofuran
CID 12609533
2,2,3,4,4,5-Hexafluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,2-pentafluoroethyl)oxolane
CID 20388267
2,2,3,3,4,4,5-Heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane
CID 13451005

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran?
The IUPAC name of 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran (CID 582843) is 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran.
What is the SMILES notation for 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran?
The canonical SMILES for 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran is FC1(F)OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F.
What is the InChIKey of 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran?
The InChIKey is KJCVWRLZDYIJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14O/c9-1-2(10,11)4(14,15)5(16,17)6(18,19)7(1,20)23-8(21,22)3(1,12)13.
What are the key properties of 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran?
2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran has a molecular weight of 378.06 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluoro-1-benzofuran is sourced from PubChem (CID 582843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).