1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene

C8H8F4O — CID 163618383

IUPAC1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(C)(F)CC(F)=C1F
InChIInChI=1S/C8H8F4O/c1-8(12)3-4(9)5(10)6(13-2)7(8)11/h3H2,1-2H3
InChIKeyHLYNFRQLXCSRLV-UHFFFAOYSA-N
MW196.14 g/mol
LogP3.10
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene

1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene (PubChem CID 163618383) has the molecular formula C8H8F4O and a molecular weight of 196.14 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene
PubChem CID163618383
Molecular FormulaC8H8F4O
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(C)(F)CC(F)=C1F
InChIInChI=1S/C8H8F4O/c1-8(12)3-4(9)5(10)6(13-2)7(8)11/h3H2,1-2H3
InChIKeyHLYNFRQLXCSRLV-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
2-Fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium
CID 59067430
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
3,5-Difluoro-2-methoxycyclohexa-1,3-diene
CID 68217336
2-Ethoxy-1,3-difluoro-5-methylcyclohexa-1,3-diene
CID 68261097
1,3-Difluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261099
3-Fluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261100
2-(Difluoromethoxy)-3-fluoro-5,5-dimethylcyclohexa-1,3-diene
CID 68261128
3-Fluoro-5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68261132
(6R)-1-fluoro-3-methoxy-6-methylcyclohexa-1,3-diene
CID 70219237
1-Fluoro-3-methoxy-6-methylcyclohexa-1,3-diene
CID 77796632

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene (CID 163618383) is 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene is COC1=C(F)C(C)(F)CC(F)=C1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is HLYNFRQLXCSRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O/c1-8(12)3-4(9)5(10)6(13-2)7(8)11/h3H2,1-2H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene?
1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 196.14 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-methoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 163618383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).