1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene

C9H2F12O — CID 53443744

IUPAC1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)C(F)(OC(F)(F)C(F)C(F)(F)F)C(F)=C1F
InChIInChI=1S/C9H2F12O/c10-1-2(11)4(13)7(16,5(14)3(1)12)22-9(20,21)6(15)8(17,18)19/h4,6H
InChIKeyHRWVVMWCZQOLFK-UHFFFAOYSA-N
MW354.09 g/mol
LogP4.81
Rot. Bonds3

About 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene

1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene (PubChem CID 53443744) has the molecular formula C9H2F12O and a molecular weight of 354.09 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene
PubChem CID53443744
Molecular FormulaC9H2F12O
Molecular Weight354.09 g/mol
Exact Mass353.99
IUPAC Name1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)C(F)(OC(F)(F)C(F)C(F)(F)F)C(F)=C1F
InChIInChI=1S/C9H2F12O/c10-1-2(11)4(13)7(16,5(14)3(1)12)22-9(20,21)6(15)8(17,18)19/h4,6H
InChIKeyHRWVVMWCZQOLFK-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 57603592
CID 57603592
CID 141454667
CID 141454667
CID 172682665
CID 172682665

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene (CID 53443744) is 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene is FC1=C(F)C(F)C(F)(OC(F)(F)C(F)C(F)(F)F)C(F)=C1F.
What is the InChIKey of 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene?
The InChIKey is HRWVVMWCZQOLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F12O/c10-1-2(11)4(13)7(16,5(14)3(1)12)22-9(20,21)6(15)8(17,18)19/h4,6H.
What are the key properties of 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene?
1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene has a molecular weight of 354.09 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 53443744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).