1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene

C11H4ClF7 — CID 162415144

IUPAC1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C#Cc1ccc(Cl)cc1
InChIInChI=1S/C11H4ClF7/c12-8-3-1-7(2-4-8)5-6-9(13,14)10(15,16)11(17,18)19/h1-4H
InChIKeyHONBSHUMXJJULT-UHFFFAOYSA-N
MW304.59 g/mol
LogP4.52
Rot. Bonds1

About 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene

1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene (PubChem CID 162415144) has the molecular formula C11H4ClF7 and a molecular weight of 304.59 g/mol. Its IUPAC name is 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene
PubChem CID162415144
Molecular FormulaC11H4ClF7
Molecular Weight304.59 g/mol
Exact Mass303.99
IUPAC Name1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C#Cc1ccc(Cl)cc1
InChIInChI=1S/C11H4ClF7/c12-8-3-1-7(2-4-8)5-6-9(13,14)10(15,16)11(17,18)19/h1-4H
InChIKeyHONBSHUMXJJULT-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene?
The IUPAC name of 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene (CID 162415144) is 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene.
What is the SMILES notation for 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene?
The canonical SMILES for 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene is FC(F)(F)C(F)(F)C(F)(F)C#Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene?
The InChIKey is HONBSHUMXJJULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF7/c12-8-3-1-7(2-4-8)5-6-9(13,14)10(15,16)11(17,18)19/h1-4H.
What are the key properties of 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene?
1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene has a molecular weight of 304.59 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3,3,4,4,5,5,5-heptafluoropent-1-ynyl)benzene is sourced from PubChem (CID 162415144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).