1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene

C7ClF11 — CID 173344552

IUPAC1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene
SMILESFC(Cl)=C(F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7ClF11/c8-4(12)2(10)1(9)3(11)5(13,14)6(15,16)7(17,18)19
InChIKeyUBPRHQOXAQRCCT-UHFFFAOYSA-N
MW328.51 g/mol
LogP5.32
Rot. Bonds3

About 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene

1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene (PubChem CID 173344552) has the molecular formula C7ClF11 and a molecular weight of 328.51 g/mol. Its IUPAC name is 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene.

Molecular Properties

Compound Name1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene
PubChem CID173344552
Molecular FormulaC7ClF11
Molecular Weight328.51 g/mol
Exact Mass327.95
IUPAC Name1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene
SMILESFC(Cl)=C(F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7ClF11/c8-4(12)2(10)1(9)3(11)5(13,14)6(15,16)7(17,18)19
InChIKeyUBPRHQOXAQRCCT-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene?
The IUPAC name of 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene (CID 173344552) is 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene.
What is the SMILES notation for 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene?
The canonical SMILES for 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene is FC(Cl)=C(F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene?
The InChIKey is UBPRHQOXAQRCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF11/c8-4(12)2(10)1(9)3(11)5(13,14)6(15,16)7(17,18)19.
What are the key properties of 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene?
1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene has a molecular weight of 328.51 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene is sourced from PubChem (CID 173344552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).