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

C8H7F5O — CID 163946430

IUPAC1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)C(C)(F)C(F)=C1F
InChIInChI=1S/C8H7F5O/c1-8(13)6(11)3(9)5(14-2)4(10)7(8)12/h6H,1-2H3
InChIKeyRVMKSSGQIHRNOO-UHFFFAOYSA-N
MW214.13 g/mol
LogP3.04
Rot. Bonds1

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

1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene (PubChem CID 163946430) has the molecular formula C8H7F5O and a molecular weight of 214.13 g/mol. Its IUPAC name is 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene
PubChem CID163946430
Molecular FormulaC8H7F5O
Molecular Weight214.13 g/mol
Exact Mass214.04
IUPAC Name1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)C(C)(F)C(F)=C1F
InChIInChI=1S/C8H7F5O/c1-8(13)6(11)3(9)5(14-2)4(10)7(8)12/h6H,1-2H3
InChIKeyRVMKSSGQIHRNOO-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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Related Compounds

(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
1,3-Difluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261099
3-Fluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261100
(3Z,5Z)-3,4,6,7-tetrafluoro-5-methoxy-2-(trifluoromethyl)hepta-1,3,5-triene
CID 89696955
2-(Difluoromethoxy)-1,3-difluoro-5-methylcyclohexa-1,3-diene
CID 89821554
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
1,3,4,6-Tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene
CID 139556977
(6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 145352145
1,2,6-Trifluoro-3-methoxycyclohexa-1,3-diene
CID 147315197
2-(Difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium
CID 159604641
1,2,4,5-Tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 163618383

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene (CID 163946430) is 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene is COC1=C(F)C(F)C(C)(F)C(F)=C1F.
What is the InChIKey of 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is RVMKSSGQIHRNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5O/c1-8(13)6(11)3(9)5(14-2)4(10)7(8)12/h6H,1-2H3.
What are the key properties of 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene?
1,3,4,5,6-pentafluoro-2-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 1,3,4,5,6-pentafluoro-2-methoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 163946430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).