[(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene

C16H15ClF8 — CID 100930806

IUPAC[(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene
SMILESCC(C)(C)/C(=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1ccccc1
InChIInChI=1S/C16H15ClF8/c1-12(2,3)11(10-7-5-4-6-8-10)9-13(18,19)14(20,21)15(22,23)16(17,24)25/h4-9H,1-3H3/b11-9+
InChIKeyLOWMQLHMQWHSBK-PKNBQFBNSA-N
MW394.73 g/mol
LogP6.85
Rot. Bonds5

About [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene

[(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene (PubChem CID 100930806) has the molecular formula C16H15ClF8 and a molecular weight of 394.73 g/mol. Its IUPAC name is [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene.

Molecular Properties

Compound Name[(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene
PubChem CID100930806
Molecular FormulaC16H15ClF8
Molecular Weight394.73 g/mol
Exact Mass394.07
IUPAC Name[(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene
SMILESCC(C)(C)/C(=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1ccccc1
InChIInChI=1S/C16H15ClF8/c1-12(2,3)11(10-7-5-4-6-8-10)9-13(18,19)14(20,21)15(22,23)16(17,24)25/h4-9H,1-3H3/b11-9+
InChIKeyLOWMQLHMQWHSBK-PKNBQFBNSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.73
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene?
The IUPAC name of [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene (CID 100930806) is [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene.
What is the SMILES notation for [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene?
The canonical SMILES for [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene is CC(C)(C)/C(=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1ccccc1.
What is the InChIKey of [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene?
The InChIKey is LOWMQLHMQWHSBK-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H15ClF8/c1-12(2,3)11(10-7-5-4-6-8-10)9-13(18,19)14(20,21)15(22,23)16(17,24)25/h4-9H,1-3H3/b11-9+.
What are the key properties of [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene?
[(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene has a molecular weight of 394.73 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene is sourced from PubChem (CID 100930806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).