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

C7H5F5O — CID 89340976

IUPAC1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)=C(F)C(F)C1F
InChIInChI=1S/C7H5F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h3,5H,1H3
InChIKeyTZASUBCXBHGRKG-UHFFFAOYSA-N
MW200.11 g/mol
LogP2.65
Rot. Bonds1

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

1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene (PubChem CID 89340976) has the molecular formula C7H5F5O and a molecular weight of 200.11 g/mol. Its IUPAC name is 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene
PubChem CID89340976
Molecular FormulaC7H5F5O
Molecular Weight200.11 g/mol
Exact Mass200.03
IUPAC Name1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)=C(F)C(F)C1F
InChIInChI=1S/C7H5F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h3,5H,1H3
InChIKeyTZASUBCXBHGRKG-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Difluoro-4-methoxycyclohexa-1,3-diene
CID 123811922
2,3,4,5,6-Pentafluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 130350692
1,2,4,5,6-Pentafluoro-3-methoxycyclohexa-1,3-diene
CID 134423700
1,2,3,5-Tetrafluoro-4-methoxycyclopenta-1,3-diene
CID 152377877
2,4-Difluoro-1-methoxycyclohexa-1,3-diene
CID 153126336
1,2,3,5,5,6,6-Heptafluoro-4-methoxycyclohexa-1,3-diene
CID 21731959

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene (CID 89340976) is 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene is COC1=C(F)C(F)=C(F)C(F)C1F.
What is the InChIKey of 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene?
The InChIKey is TZASUBCXBHGRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h3,5H,1H3.
What are the key properties of 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene?
1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene has a molecular weight of 200.11 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6-pentafluoro-4-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 89340976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).