3,4,4,5,5,7-hexafluorohepta-1,2-diene

C7H6F6 — CID 139662530

IUPAC3,4,4,5,5,7-hexafluorohepta-1,2-diene
SMILESC=C=C(F)C(F)(F)C(F)(F)CCF
InChIInChI=1S/C7H6F6/c1-2-5(9)7(12,13)6(10,11)3-4-8/h1,3-4H2
InChIKeyVEMKXBSUNORJJT-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.25
Rot. Bonds4

About 3,4,4,5,5,7-hexafluorohepta-1,2-diene

3,4,4,5,5,7-hexafluorohepta-1,2-diene (PubChem CID 139662530) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 3,4,4,5,5,7-hexafluorohepta-1,2-diene.

Molecular Properties

Compound Name3,4,4,5,5,7-hexafluorohepta-1,2-diene
PubChem CID139662530
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name3,4,4,5,5,7-hexafluorohepta-1,2-diene
SMILESC=C=C(F)C(F)(F)C(F)(F)CCF
InChIInChI=1S/C7H6F6/c1-2-5(9)7(12,13)6(10,11)3-4-8/h1,3-4H2
InChIKeyVEMKXBSUNORJJT-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1,1,3-trifluoropropan-1-ol
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difluoromethane;1,1,1,3-tetrafluoropropane
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(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
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2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene
CID 22897553
lithium;3,4-difluorobuta-1,2-diene;hydride
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2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
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1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane
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1,1-dibromo-1,3-difluoropropane
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1,1-dichloro-1,3-difluoropropane
CID 14226151

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,7-hexafluorohepta-1,2-diene?
The IUPAC name of 3,4,4,5,5,7-hexafluorohepta-1,2-diene (CID 139662530) is 3,4,4,5,5,7-hexafluorohepta-1,2-diene.
What is the SMILES notation for 3,4,4,5,5,7-hexafluorohepta-1,2-diene?
The canonical SMILES for 3,4,4,5,5,7-hexafluorohepta-1,2-diene is C=C=C(F)C(F)(F)C(F)(F)CCF.
What is the InChIKey of 3,4,4,5,5,7-hexafluorohepta-1,2-diene?
The InChIKey is VEMKXBSUNORJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-2-5(9)7(12,13)6(10,11)3-4-8/h1,3-4H2.
What are the key properties of 3,4,4,5,5,7-hexafluorohepta-1,2-diene?
3,4,4,5,5,7-hexafluorohepta-1,2-diene has a molecular weight of 204.11 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,7-hexafluorohepta-1,2-diene is sourced from PubChem (CID 139662530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).