7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene

C7H5ClF8 — CID 14028188

IUPAC7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene
SMILESC=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C7H5ClF8/c1-2-3-4(9,10)5(11,12)6(13,14)7(8,15)16/h2H,1,3H2
InChIKeyGRIAUKXSYPCIJU-UHFFFAOYSA-N
MW276.55 g/mol
LogP4.30
Rot. Bonds5

About 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene

7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene (PubChem CID 14028188) has the molecular formula C7H5ClF8 and a molecular weight of 276.55 g/mol. Its IUPAC name is 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene.

Molecular Properties

Compound Name7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene
PubChem CID14028188
Molecular FormulaC7H5ClF8
Molecular Weight276.55 g/mol
Exact Mass276.00
IUPAC Name7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene
SMILESC=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C7H5ClF8/c1-2-3-4(9,10)5(11,12)6(13,14)7(8,15)16/h2H,1,3H2
InChIKeyGRIAUKXSYPCIJU-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene?
The IUPAC name of 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene (CID 14028188) is 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene.
What is the SMILES notation for 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene?
The canonical SMILES for 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene is C=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene?
The InChIKey is GRIAUKXSYPCIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF8/c1-2-3-4(9,10)5(11,12)6(13,14)7(8,15)16/h2H,1,3H2.
What are the key properties of 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene?
7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene has a molecular weight of 276.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene is sourced from PubChem (CID 14028188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).