4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene

C4ClF7 — CID 12506677

IUPAC4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C4ClF7/c5-4(11,12)3(9,10)1(6)2(7)8
InChIKeyAARHFRMJZTZXLE-UHFFFAOYSA-N
MW216.48 g/mol
LogP3.53
Rot. Bonds2

About 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene

4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene (PubChem CID 12506677) has the molecular formula C4ClF7 and a molecular weight of 216.48 g/mol. Its IUPAC name is 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene
PubChem CID12506677
Molecular FormulaC4ClF7
Molecular Weight216.48 g/mol
Exact Mass215.96
IUPAC Name4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C4ClF7/c5-4(11,12)3(9,10)1(6)2(7)8
InChIKeyAARHFRMJZTZXLE-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.48
LogP ≤ 53.53
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 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The IUPAC name of 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene (CID 12506677) is 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene.
What is the SMILES notation for 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The canonical SMILES for 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene is FC(F)=C(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The InChIKey is AARHFRMJZTZXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF7/c5-4(11,12)3(9,10)1(6)2(7)8.
What are the key properties of 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene?
4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene has a molecular weight of 216.48 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 12506677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).