1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene

C7H6F4O — CID 141400646

IUPAC1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1(F)C(F)=CC=C(F)C1F
InChIInChI=1S/C7H6F4O/c1-12-7(11)5(9)3-2-4(8)6(7)10/h2-3,6H,1H3
InChIKeyFCXWIWLOJQLGMD-UHFFFAOYSA-N
MW182.12 g/mol
LogP2.36
Rot. Bonds1

About 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene

1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene (PubChem CID 141400646) has the molecular formula C7H6F4O and a molecular weight of 182.12 g/mol. Its IUPAC name is 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene
PubChem CID141400646
Molecular FormulaC7H6F4O
Molecular Weight182.12 g/mol
Exact Mass182.04
IUPAC Name1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1(F)C(F)=CC=C(F)C1F
InChIInChI=1S/C7H6F4O/c1-12-7(11)5(9)3-2-4(8)6(7)10/h2-3,6H,1H3
InChIKeyFCXWIWLOJQLGMD-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene
CID 155000957
(4R)-1,3,3,4,5,5-hexafluorocyclopentene
CID 23235244
1,5,6-trifluoro-2-nitrocyclohexa-2,4-dien-1-amine
CID 18472127
4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane
CID 144730530
1,3,4,4,5,5,6,6-octafluorocyclohexene
CID 87447762
1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene
CID 12949445
(1,5-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol
CID 175288970
1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 89099264
(5,6-difluoro-1-pentylcyclohexa-2,4-dien-1-yl)oxyboronic acid
CID 139733817
methyl 2,5,6-trifluoro-1-methoxy-4-phenylcyclohexa-2,4-diene-1-carboxylate
CID 175302276
3-ethoxy-1,2,7-trifluoro-3-methoxy-1,2-dihydroindene-4-thiol
CID 145171131
2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
CID 89420440

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene (CID 141400646) is 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene is COC1(F)C(F)=CC=C(F)C1F.
What is the InChIKey of 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene?
The InChIKey is FCXWIWLOJQLGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O/c1-12-7(11)5(9)3-2-4(8)6(7)10/h2-3,6H,1H3.
What are the key properties of 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene?
1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene has a molecular weight of 182.12 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 141400646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).