4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene

C15H7F7S — CID 101407126

IUPAC4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene
SMILESFC1=C(c2csc(-c3ccccc3)c2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H7F7S/c16-12-11(13(17,18)15(21,22)14(12,19)20)9-6-10(23-7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyDEQYOJVBYKTLBA-UHFFFAOYSA-N
MW352.27 g/mol
LogP6.02
Rot. Bonds2

About 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene

4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene (PubChem CID 101407126) has the molecular formula C15H7F7S and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene.

Molecular Properties

Compound Name4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene
PubChem CID101407126
Molecular FormulaC15H7F7S
Molecular Weight352.27 g/mol
Exact Mass352.02
IUPAC Name4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene
SMILESFC1=C(c2csc(-c3ccccc3)c2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H7F7S/c16-12-11(13(17,18)15(21,22)14(12,19)20)9-6-10(23-7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyDEQYOJVBYKTLBA-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 56.02
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 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene?
The IUPAC name of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene (CID 101407126) is 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene.
What is the SMILES notation for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene?
The canonical SMILES for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene is FC1=C(c2csc(-c3ccccc3)c2)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene?
The InChIKey is DEQYOJVBYKTLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F7S/c16-12-11(13(17,18)15(21,22)14(12,19)20)9-6-10(23-7-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene?
4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene has a molecular weight of 352.27 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-2-phenylthiophene is sourced from PubChem (CID 101407126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).