2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene

C8H7F5O — CID 130350692

IUPAC2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)=C(F)C(C)(F)C1F
InChIInChI=1S/C8H7F5O/c1-8(13)6(11)4(10)3(9)5(14-2)7(8)12/h7H,1-2H3
InChIKeyZQRACTZZZFSUAZ-UHFFFAOYSA-N
MW214.13 g/mol
LogP3.04
Rot. Bonds1

About 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene

2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene (PubChem CID 130350692) has the molecular formula C8H7F5O and a molecular weight of 214.13 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene
PubChem CID130350692
Molecular FormulaC8H7F5O
Molecular Weight214.13 g/mol
Exact Mass214.04
IUPAC Name2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)=C(F)C(C)(F)C1F
InChIInChI=1S/C8H7F5O/c1-8(13)6(11)4(10)3(9)5(14-2)7(8)12/h7H,1-2H3
InChIKeyZQRACTZZZFSUAZ-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene (CID 130350692) is 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene is COC1=C(F)C(F)=C(F)C(C)(F)C1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is ZQRACTZZZFSUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5O/c1-8(13)6(11)4(10)3(9)5(14-2)7(8)12/h7H,1-2H3.
What are the key properties of 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene?
2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 214.13 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 130350692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).