1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene

C9H9F5 — CID 19818755

IUPAC1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene
SMILESCCCC1C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C9H9F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h4-5H,2-3H2,1H3
InChIKeyCPZBWYJBEAQTEV-UHFFFAOYSA-N
MW212.16 g/mol
LogP4.06
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene

1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene (PubChem CID 19818755) has the molecular formula C9H9F5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene
PubChem CID19818755
Molecular FormulaC9H9F5
Molecular Weight212.16 g/mol
Exact Mass212.06
IUPAC Name1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene
SMILESCCCC1C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C9H9F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h4-5H,2-3H2,1H3
InChIKeyCPZBWYJBEAQTEV-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 54.06
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-propylcyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene (CID 19818755) is 1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene is CCCC1C(F)=C(F)C(F)=C(F)C1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene?
The InChIKey is CPZBWYJBEAQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h4-5H,2-3H2,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene?
1,2,3,4,5-pentafluoro-6-propylcyclohexa-1,3-diene has a molecular weight of 212.16 g/mol, XLogP of 4.06, 2 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-propylcyclohexa-1,3-diene is sourced from PubChem (CID 19818755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).