1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene

C12H15F5 — CID 71079613

IUPAC1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene
SMILESCCCC(CC)C1C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C12H15F5/c1-3-5-6(4-2)7-8(13)10(15)12(17)11(16)9(7)14/h6-8H,3-5H2,1-2H3
InChIKeyQDYCGXSSJNXCKB-UHFFFAOYSA-N
MW254.24 g/mol
LogP5.08
Rot. Bonds4

About 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene

1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene (PubChem CID 71079613) has the molecular formula C12H15F5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene
PubChem CID71079613
Molecular FormulaC12H15F5
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC Name1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene
SMILESCCCC(CC)C1C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C12H15F5/c1-3-5-6(4-2)7-8(13)10(15)12(17)11(16)9(7)14/h6-8H,3-5H2,1-2H3
InChIKeyQDYCGXSSJNXCKB-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene (CID 71079613) is 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene is CCCC(CC)C1C(F)=C(F)C(F)=C(F)C1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene?
The InChIKey is QDYCGXSSJNXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5/c1-3-5-6(4-2)7-8(13)10(15)12(17)11(16)9(7)14/h6-8H,3-5H2,1-2H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene?
1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene has a molecular weight of 254.24 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-hexan-3-ylcyclohexa-1,3-diene is sourced from PubChem (CID 71079613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).